HRID122685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID10214733

未命名化合物

HCID18677614

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

HCID17814226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71e135e7958249b6978d6c87760d7715
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:45][CH2:46][Cl:47].[F:21][C:22]([CH:23]([C:24]([F:25])([F:26])[F:27])[c:28]1[cH:29][cH:30][c:31]([O:36][CH3:37])[c:32]([CH:33]=[O:34])[cH:35]1)([F:38])[F:39].[NH2:1][CH:2]1[CH:3]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][CH2:7]1.[Na+:44].[O-:40][C:41]([OH:42])=[O:43]>>[NH:1]([CH:2]1[CH:3]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][CH2:7]1)[CH2:33][c:32]1[c:31]([O:36][CH3:37])[cH:30][cH:29][c:28]([CH:23]([C:22]([F:21])([F:38])[F:39])[C:24]([F:25])([F:26])[F:27])[cH:35]1