Datasets:

AccelerationConsortium
/

Aryl-Halides-Source-Data

base stringclasses 3 values	ligand stringclasses 4 values	additive stringclasses 23 values	aryl_halide stringclasses 15 values	yield float64 0 100
P2Et	XPhos	5-phenylisoxazole	1-chloro-4-(trifluoromethyl)benzene	10.657812
P2Et	XPhos	5-phenylisoxazole	1-bromo-4-(trifluoromethyl)benzene	14.747896
P2Et	XPhos	5-phenylisoxazole	1-iodo-4-(trifluoromethyl)benzene	18.278686
P2Et	XPhos	5-phenylisoxazole	1-chloro-4-methoxybenzene	2.475058
P2Et	XPhos	5-phenylisoxazole	1-bromo-4-methoxybenzene	6.119058
P2Et	XPhos	5-phenylisoxazole	1-iodo-4-methoxybenzene	5.449924
P2Et	XPhos	5-phenylisoxazole	1-chloro-4-ethylbenzene	7.80208
P2Et	XPhos	5-phenylisoxazole	1-bromo-4-ethylbenzene	14.234178
P2Et	XPhos	5-phenylisoxazole	1-ethyl-4-iodobenzene	15.413893
P2Et	XPhos	5-phenylisoxazole	2-chloropyridine	9.465696
P2Et	XPhos	5-phenylisoxazole	2-bromopyridine	15.238758
P2Et	XPhos	5-phenylisoxazole	2-iodopyridine	19.594289
P2Et	XPhos	5-phenylisoxazole	3-chloropyridine	7.787908
P2Et	XPhos	5-phenylisoxazole	3-bromopyridine	9.677592
P2Et	XPhos	5-phenylisoxazole	3-iodopyridine	13.175217
BTMG	XPhos	5-phenylisoxazole	1-chloro-4-(trifluoromethyl)benzene	14.018641
BTMG	XPhos	5-phenylisoxazole	1-bromo-4-(trifluoromethyl)benzene	30.591262
BTMG	XPhos	5-phenylisoxazole	1-iodo-4-(trifluoromethyl)benzene	38.155736
BTMG	XPhos	5-phenylisoxazole	1-chloro-4-methoxybenzene	0.456472
BTMG	XPhos	5-phenylisoxazole	1-bromo-4-methoxybenzene	3.867386
BTMG	XPhos	5-phenylisoxazole	1-iodo-4-methoxybenzene	7.024622
BTMG	XPhos	5-phenylisoxazole	1-chloro-4-ethylbenzene	2.846164
BTMG	XPhos	5-phenylisoxazole	1-bromo-4-ethylbenzene	18.869009
BTMG	XPhos	5-phenylisoxazole	1-ethyl-4-iodobenzene	25.073659
BTMG	XPhos	5-phenylisoxazole	2-chloropyridine	21.666586
BTMG	XPhos	5-phenylisoxazole	2-bromopyridine	48.487494
BTMG	XPhos	5-phenylisoxazole	2-iodopyridine	58.610757
BTMG	XPhos	5-phenylisoxazole	3-chloropyridine	4.169293
BTMG	XPhos	5-phenylisoxazole	3-bromopyridine	11.383346
BTMG	XPhos	5-phenylisoxazole	3-iodopyridine	24.418182
MTBD	XPhos	5-phenylisoxazole	1-chloro-4-(trifluoromethyl)benzene	14.967396
MTBD	XPhos	5-phenylisoxazole	1-bromo-4-(trifluoromethyl)benzene	30.286255
MTBD	XPhos	5-phenylisoxazole	1-iodo-4-(trifluoromethyl)benzene	39.577839
MTBD	XPhos	5-phenylisoxazole	1-chloro-4-methoxybenzene	0.339837
MTBD	XPhos	5-phenylisoxazole	1-bromo-4-methoxybenzene	3.123062
MTBD	XPhos	5-phenylisoxazole	1-iodo-4-methoxybenzene	5.14011
MTBD	XPhos	5-phenylisoxazole	1-chloro-4-ethylbenzene	3.920306
MTBD	XPhos	5-phenylisoxazole	1-bromo-4-ethylbenzene	15.39753
MTBD	XPhos	5-phenylisoxazole	1-ethyl-4-iodobenzene	22.450649
MTBD	XPhos	5-phenylisoxazole	2-chloropyridine	23.686174
MTBD	XPhos	5-phenylisoxazole	2-bromopyridine	42.694859
MTBD	XPhos	5-phenylisoxazole	2-iodopyridine	54.833609
MTBD	XPhos	5-phenylisoxazole	3-chloropyridine	6.351542
MTBD	XPhos	5-phenylisoxazole	3-bromopyridine	14.164722
MTBD	XPhos	5-phenylisoxazole	3-iodopyridine	17.378304
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-(trifluoromethyl)benzene	3.606677
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-(trifluoromethyl)benzene	35.078662
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-(trifluoromethyl)benzene	43.318146
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-methoxybenzene	0
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-methoxybenzene	29.298178
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-methoxybenzene	37.565356
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-ethylbenzene	0.96081
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-ethylbenzene	59.019681
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-ethyl-4-iodobenzene	70.96873
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-chloropyridine	35.139527
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-bromopyridine	37.654458
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-iodopyridine	51.10249
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-chloropyridine	3.96345
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-bromopyridine	31.93031
P2Et	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-iodopyridine	48.708232
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-(trifluoromethyl)benzene	5.008761
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-(trifluoromethyl)benzene	35.088724
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-(trifluoromethyl)benzene	41.245607
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-methoxybenzene	0
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-methoxybenzene	13.976947
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-methoxybenzene	18.895249
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-ethylbenzene	0.705195
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-ethylbenzene	32.632341
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-ethyl-4-iodobenzene	31.818372
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-chloropyridine	30.425439
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-bromopyridine	53.63578
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-iodopyridine	59.476744
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-chloropyridine	2.014672
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-bromopyridine	26.513526
BTMG	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-iodopyridine	36.850379
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-(trifluoromethyl)benzene	4.820162
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-(trifluoromethyl)benzene	34.806286
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-(trifluoromethyl)benzene	46.632498
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-methoxybenzene	0
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-methoxybenzene	11.742185
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-iodo-4-methoxybenzene	26.651894
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-chloro-4-ethylbenzene	0.54683
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-bromo-4-ethylbenzene	35.870556
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	1-ethyl-4-iodobenzene	68.844495
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-chloropyridine	33.875422
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-bromopyridine	63.069719
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	2-iodopyridine	70.629892
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-chloropyridine	2.481416
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-bromopyridine	31.678005
MTBD	XPhos	ethyl-3-methylisoxazole-5-carboxylate	3-iodopyridine	46.0142
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-chloro-4-(trifluoromethyl)benzene	22.166448
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-bromo-4-(trifluoromethyl)benzene	23.211569
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-iodo-4-(trifluoromethyl)benzene	34.748764
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-chloro-4-methoxybenzene	0.948129
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-bromo-4-methoxybenzene	16.649665
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-iodo-4-methoxybenzene	19.999826
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-chloro-4-ethylbenzene	4.992379
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-bromo-4-ethylbenzene	53.996993
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	1-ethyl-4-iodobenzene	57.37549
P2Et	XPhos	ethyl-5-methylisoxazole-3-carboxylate	2-chloropyridine	22.611658

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