HRID700502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CO)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID59548440

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(COS(C)(=O)=O)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID59548272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a818c5b382a14b9e98255830253645b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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