HRID1235784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)COc1cccc(-c2nc(NS(=O)(=O)c3ccc(C)cn3)c(Oc3ccccc3OC)c(OC)n2)c1

HCID53666334

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cccc(OCC(=O)O)c2)nc1OC

HCID21200250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbcd24e41d214206bb1222ca97f1e138
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

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][c:14]([NH:29][S:30](=[O:31])(=[O:32])[c:33]3[n:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]3)[c:15]([O:20][c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[c:16]([O:18][CH3:19])[n:17]2)[cH:9][cH:10][cH:11]1)=[O:40].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:52][OH:53].[Cl:43][CH2:44][Cl:45].[Na+:42].[OH-:41]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][c:14]([NH:29][S:30](=[O:31])(=[O:32])[c:33]3[n:34][cH:35][c:36]([CH3:39])[cH:37][cH:38]3)[c:15]([O:20][c:21]3[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]3)[c:16]([O:18][CH3:19])[n:17]2)[cH:9][cH:10][cH:11]1)[OH:40]