HRID2156598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CCOC(=O)C(=Cc1ccc(-c2cccc(NC)c2)cc1)OCC

HCID90765443

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=Cc1ccc(-c2cccc(N(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)c2)cc1)OCC

HCID90848897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c07f48ebaa4d471f97befc91d232c892
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

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