HRID1130085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID73702

Ethanesulfonamide

C2H7NO2S

结构：COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1

HCID11669780

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(=O)C(C)(C)c1cccc(-c2cc(NCCc3ccc(Cl)cc3Cl)nc(OC)n2)c1

HCID57636027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06417abd0d6420caf12146e2adcb266
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:32]([CH3:33])[S:34](=[O:35])(=[O:36])[NH2:37].[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][NH:11][c:12]2[cH:13][c:14](-[c:20]3[cH:21][c:22]([C:26]([C:27](=[O:28])[OH:29])([CH3:30])[CH3:31])[cH:23][cH:24][cH:25]3)[n:15][c:16]([O:18][CH3:19])[n:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:47][CH2:48][Cl:49]>>[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][NH:11][c:12]2[cH:13][c:14](-[c:20]3[cH:21][c:22]([C:26]([C:27](=[O:29])[NH:37][S:34]([CH2:32][CH3:33])(=[O:35])=[O:36])([CH3:30])[CH3:31])[cH:23][cH:24][cH:25]3)[n:15][c:16]([O:18][CH3:19])[n:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1