HRID2334355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9086

3-Aminopropanol

C3H9NO

结构：COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C(C)C)cn1

HCID22729411

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OCCCN

HCID18184211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18a9e26b006c413aada64390cdf4c173
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

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