HRID150043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID138587

p-Chlorobenzenesulfonyl isocyanate

C7H4ClNO3S

结构：CCc1nc(-c2cccc(C)n2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1

HCID22291410

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2cccc(C)n2)cn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1

HCID22291374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-add2615e53ea46498b6c38b272793ac0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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