HRID192270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID20707

Benzoxazol-2-amine

C7H6N2O

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)Nc2nc3ccccc3o2)cc1Cl

HCID10138559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6992bbc8dbd844638d81cead5ca22ab6
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].[CH2:65]([Cl:66])[Cl:67].[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].[NH2:49][c:50]1[o:51][c:52]2[c:53]([n:54]1)[cH:55][cH:56][cH:57][cH:58]2.[OH2:68].[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:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:42])[NH:49][c:50]2[o:51][c:52]3[c:53]([n:54]2)[cH:55][cH:56][cH:57][cH:58]3)[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]