HRID1142406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)C[n+]1ccccc1

HCID86636905

未命名化合物

结构：Cc1ccc(C(=O)C[n+]2ccccc2)c(NC(=O)c2ccccc2C)c1

HCID86636907

未命名化合物

PRODUCTS

生成物

HCID25192117

2-Methyl-4-(2-methylbenzamido)benzoic acid

C16H15NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53bf10d45b724bdf9924133a2348e31d
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

[CH3:29][c:30]1[cH:31][cH:32][c:33]([C:34]([CH2:35][n+:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:44])[c:42]([NH:43][C:45](=[O:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[CH3:53])[cH:54]1.[CH3:2][c:3]1[c:4]([C:19]([CH2:20][n+:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:5][cH:6][c:7]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:8]1.[CH3:58][OH:59].[Cl-:1].[Cl-:28].[ClH:57].[Na+:56].[OH-:55].[OH2:60]>>[CH3:2][c:3]1[c:4]([C:19]([OH:27])=[O:44])[cH:5][cH:6][c:7]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:8]1