HRID177350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID13397

4-Chlorobenzenemethanol

C7H7ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1C(CCc2ccc(N=C=O)cc2)COC1(C)C

HCID87287898

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(CCc2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)COC1(C)C

HCID67151717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cd65c4a211548519d81520779fdc665
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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