HRID316269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID75938

Cyclohexanecarbonyl chloride

C7H11ClO

结构：Cc1ccc2c(c1)NC(=O)C(NC(=O)OC(C)(C)C)CN2

HCID21201581

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)NC(=O)C(NC(=O)OC(C)(C)C)CN2C(=O)C1CCCCC1

HCID21201531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67af4e35a05e4855924af918000c1a3a
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

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