HRID178543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID254249

2-Chloro-5-(methoxycarbonyl)pyridine

C7H6ClNO2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697239

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)nc1

HCID66697209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f0e0a325de04794b2a77a635fee2a82
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

[C:40](=[O:41])([O-:42])[O-:43].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cl:29][c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]1.[K+:44].[K+:45].[OH2:46]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([O:8][c:30]2[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]2)[cH:7]1