HRID201113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID43600

5-bromothiazol-2-amine

C3H3BrN2S

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO4S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ncc(Br)s2)cc1Cl

HCID23394579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5053bc95d6d404d8d1f0e68135004d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[BrH:49].[CH2:63]([Cl:64])[Cl:65].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[OH:42])[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38].[NH2:50][c:51]1[s:52][c:53]([Br:56])[cH:54][n:55]1.[OH2:66].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:42])[NH:50][c:51]2[s:52][c:53]([Br:56])[cH:54][n:55]2)[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38]