HRID139210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CCCC1(CC=C(C)Cl)Cc2cc(C(C(=O)OCC)C(=O)OCC)c(Cl)c(Cl)c2C1=O

HCID54492079

未命名化合物

PRODUCTS

生成物

结构：CCCC1(CC=C(C)Cl)Cc2cc(C(CC(=O)OC)(C(=O)OCC)C(=O)OCC)c(Cl)c(Cl)c2C1=O

HCID73675547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ddaddd88a34f1491272d83136335f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:32][CH2:33][C:34](=[O:35])[O:36][CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][c:2]1[c:3]([CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][c:5]2[c:9]([c:10]1[Cl:11])[C:8](=[O:12])[C:7]([CH2:13][CH2:14][CH3:15])([CH2:16][CH:17]=[C:18]([CH3:19])[Cl:20])[CH2:6]2.[OH2:42]>>[Cl:1][c:2]1[c:3]([C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:4][c:5]2[c:9]([c:10]1[Cl:11])[C:8](=[O:12])[C:7]([CH2:13][CH2:14][CH3:15])([CH2:16][CH:17]=[C:18]([CH3:19])[Cl:20])[CH2:6]2