HRID1223764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C#N)c2)nc1OC

HCID9935894

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(N)=O)c2)nc1OC

HCID53779662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbfffd938211493397aa7febd3c52f28
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

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