HRID1554474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：COC(=O)c1cc(Br)n(S(=O)(=O)c2ccccc2)c1

HCID66924623

Methyl 5-bromo-1-(phenylsulfonyl)-1H-pyrrole-3-carboxylate

C12H10BrNO4S

PRODUCTS

生成物

结构：COC(=O)c1cc(C2CC2)n(S(=O)(=O)c2ccccc2)c1

HCID66924740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69178a6bf0b6476c9d7694f4093dd25b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:20]1([B:23]([OH:24])[OH:25])[CH2:21][CH2:22]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[K+:50].[K+:51].[K+:52].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:60].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[Pd+2:61]>>[c:2]1([CH:20]2[CH2:21][CH2:22]2)[cH:3][c:4]([C:16](=[O:17])[O:18][CH3:19])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1