HRID2340011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1

HCID19854937

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1

HCID19854940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a42c293a8eb74006b8f21e88df284c4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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