HRID311410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID949

N,N-Dimethylaniline

C8H11N

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID1176

Urea

CH4N2O

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-6d61425229524f048709d67a6ab6645b
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

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