HRID2156948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID2337

Benzocaine

C9H11NO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：O=C(Cl)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

HCID20454288

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1

HCID66788761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf178f186214ef6acdd4a451eb4b31d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH2:11])[cH:9][cH:10]1)=[O:12].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[c:38]([N+:46](=[O:47])[O-:48])[cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][N:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][n:27]1)[CH3:28].[Cl:49][CH2:50][Cl:51].[OH2:52]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:41]([c:40]2[cH:39][c:38]([N+:46](=[O:47])[O-:48])[c:37]([O:36][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:45][cH:44]2)=[O:42])[cH:9][cH:10]1)=[O:12]