HRID2347086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(N)cn2)cc1

HCID19689480

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(NC(=O)C(C)(C)C)cn2)cc1

HCID19689530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c77c53fdae941168f07782d7105b9a2
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

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