HRID1125307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID23994

Zinc

结构：COc1cc2c(nc1OC)c(-c1cc3c(C=NO)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID136386487

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(nc1OC)c(-c1cc3c(CN)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID68468798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c383644c38643cd96c7c985ad2d9bfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([O:35][CH3:36])[cH:5][c:6]2[c:7]([n:8]1)[c:9](-[c:13]1[cH:14][c:15]3[c:16]([n:17][cH:18][cH:19][c:20]3[CH:21]=[N:22][OH:23])[n:24]1[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]1)[cH:10][n:11]2[CH3:12].[CH3:42][CH2:43][OH:44].[CH3:46][OH:47].[CH:37]([OH:38])=[O:39].[Na+:41].[OH-:40].[OH2:45].[Zn:48]>>[CH3:1][O:2][c:3]1[c:4]([O:35][CH3:36])[cH:5][c:6]2[c:7]([n:8]1)[c:9](-[c:13]1[cH:14][c:15]3[c:16]([n:17][cH:18][cH:19][c:20]3[CH2:21][NH2:22])[n:24]1[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]1)[cH:10][n:11]2[CH3:12]