HRID2350701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)c(-c2ccnc(Cl)n2)s1

HCID57989760

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1

HCID57989939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ba383e06637439b9c243a6cc91a6294
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

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