HRID1147151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2764083

methyl 4,6-dichloronicotinate

C7H5Cl2NO2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696986

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(Oc2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)cc1Cl

HCID66697132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7259446aecb452198f7def133a16c0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:28][O:29][C:30]([c:31]1[cH:32][n:33][c:34]([Cl:38])[cH:35][c:36]1[Cl:37])=[O:39].[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]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([OH:8])[cH:7]1>>[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]([n:21]([CH3:25])[c:22](=[O:24])[o:23]3)[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([O:8][c:34]2[n:33][cH:32][c:31]([C:30]([O:29][CH3:28])=[O:39])[c:36]([Cl:37])[cH:35]2)[cH:7]1