HRID179534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：CCC1CC(NC(=O)OCc2ccccc2)c2cc(C(F)(F)F)ccc2N1

HCID57239182

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(NC(=O)OCc2ccccc2)CC1CC

HCID69578498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beaa23cf6ee947fcbbb682f244dcc4ad
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

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