HRID671059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID342

m-Cresol

C7H8O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7015

2-Biphenylamine

C12H11N

HCID19089199

未命名化合物

PRODUCTS

生成物

结构：CN(C(=N)Nc1ccccc1-c1ccccc1)c1ccc(OCc2ccccc2)cc1

HCID178485093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd62097c4b924dc9a68e719ed9128294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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