HRID309868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID66837

Benzoic acid, 3-(dimethylamino)-

C9H11NO2

结构：CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1

HCID73773

Crystal Violet lactone

C26H29N3O2

HCID54428719

未命名化合物

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-2fafd97d4dda483fab02179058de5393
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

[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([C:9]2([c:22]3[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]3)[O:10][C:11](=[O:12])[c:13]3[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17][c:18]32)[cH:7][cH:8]1)[CH3:31].[CH3:32][c:33]1[c:34]([NH2:35])[c:36]([CH3:37])[c:38]([CH3:39])[c:40]([C:42]([CH3:43])([OH:44])[c:45]2[cH:46][cH:47][c:48]([NH2:49])[cH:50][cH:51]2)[cH:41]1.[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][c:57]([C:61]([OH:62])=[O:63])[cH:58][cH:59][cH:60]1.[S:64](=[O:65])(=[O:66])([OH:67])[OH:68]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]([c:18]2[c:13]([C:11](=[O:10])[OH:12])[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17]2)[c:22]2[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]2)[cH:7][cH:8]1)[CH3:31]