HRID666510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID77743

1-Propanamine, 3-(methylthio)-

C4H11NS

结构：O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F)c1c(F)cccc1F

HCID57989866

未命名化合物

PRODUCTS

生成物

结构：CSCCCNc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1

HCID57989900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f801f79a4c34453b02d9c34ae9c45b1
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

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