HRID115149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID20444434

4-Amino-3-methoxy-N-methylbenzamide

C9H12N2O2

HCID72285719

未命名化合物

PRODUCTS

生成物

结构：CCC1c2nncn2-c2cnc(Nc3ccc(C(=O)NC)cc3OC)nc2N1C1CCCC1

HCID66672556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe82e4d78a644c0f8657f9913e82d943
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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