HRID1214589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID166653

Hydride

H-

结构：COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)Nc1ccc(C(C)C)cc1

HCID10279868

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO

HCID10302811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d704e016a7e4bdf820a4009b6194f0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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