HRID319111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID949

N,N-Dimethylaniline

C8H11N

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID7479

4-Dimethylaminobenzaldehyde

C9H11NO

HCID66837

Benzoic acid, 3-(dimethylamino)-

C9H11NO2

PRODUCTS

生成物

结构：CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2C(=O)O)cc1

HCID102063

Benzoic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)-

C26H31N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36cf11d74dc841c1b1936f2135c9ee21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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