HRID209131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID77743

1-Propanamine, 3-(methylthio)-

C4H11NS

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3cn(C)cn3)c2)c(-c2ccnc(Cl)n2)s1

HCID86636583

未命名化合物

PRODUCTS

生成物

结构：CSCCCNc1nccc(-c2sc(C(C)C)nc2-c2ccc(F)c(NS(=O)(=O)c3cn(C)cn3)c2)n1

HCID67312602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aed51b7cf403460fa8a89d9a94dec6b6
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

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