HRID190598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID7972

4-Methylmorpholine

C5H11NO

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：COC(=S)c1cc(-c2nc(-c3ccc(N)cc3)cs2)c(C)s1

HCID86583820

未命名化合物

PRODUCTS

生成物

结构：COC(=S)c1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cs2)c(C)s1

HCID86758674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b48f3231e5a43e0b7cfb20352389c93
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

[CH3:23][N:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[CH3:30][N:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][n:37]1)[CH3:38].[CH3:52][OH:53].[Cl:49][CH2:50][Cl:51].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:13]3[cH:14][c:15]([C:19](=[S:20])[O:21][CH3:22])[s:16][c:17]3[CH3:18])[s:11][cH:12]2)[cH:6][cH:7]1.[c:39]1([S:45](=[O:46])(=[O:47])[Cl:48])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:13]3[cH:14][c:15]([C:19](=[S:20])[O:21][CH3:22])[s:16][c:17]3[CH3:18])[s:11][cH:12]2)[cH:6][cH:7]1)[S:45]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)(=[O:46])=[O:47]