HRID1561107

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

HCID6422

未命名化合物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

HCID59003107

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNc2cc(Cl)ccc21

HCID59003177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13693948d2234e98b78823c4e70c8f10
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]([O:2][C:3](=[O:4])[N:8]1[c:9]2[c:10]([cH:34][cH:35][c:36]([Cl:38])[cH:37]2)[CH:11]([N:15]([CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[C:31]([CH3:32])=[O:33])[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[C:46](=[O:47])([OH:48])[O-:49].[Cl:51][CH2:52][Cl:53].[Na+:50].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[NH:8]1[c:9]2[c:10]([cH:34][cH:35][c:36]([Cl:38])[cH:37]2)[CH:11]([N:15]([CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[C:31]([CH3:32])=[O:33])[CH2:12][CH2:13][CH2:14]1