HRID1561291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)OCc1ccccc1

HCID14805851

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)OC(C)(C)C)cc1

HCID68655269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05c431b5f2b34d408a77e222950a994d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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