HRID1114678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID2764083

methyl 4,6-dichloronicotinate

C7H5Cl2NO2

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)c1cnc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)cc1Cl

HCID66697329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68e826895ba14381a103409af4a03473
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

[CH2:41]1[N:42]2[CH2:43][CH2:44][N:45]([CH2:46][CH2:47]2)[CH2:48]1.[CH3:29][O:30][C:31]([c:32]1[cH:33][n:34][c:35]([Cl:39])[cH:36][c:37]1[Cl:38])=[O:40].[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: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:35]2[n:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:40])[c:37]([Cl:38])[cH:36]2)[cH:7]1