HRID2337105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccnc(SC)n2)c1

HCID19689502

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccncn2)c1

HCID11813644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bda7c0dc1fba40d7932f0561c46a9a21
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:34]3[n:35][c:36]([S:40][CH3:41])[n:37][cH:38][cH:39]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH3:42][CH2:43][OH:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:34]3[n:35][cH:36][n:37][cH:38][cH:39]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1