HRID101231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID11106516

Methyl 2,6-dichloronicotinate

C7H5Cl2NO2

结构：CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(O)cc3Cl)C(F)(F)F)cc21

HCID66697351

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(Oc4ccc(C(=O)OC)c(Cl)n4)cc3Cl)C(F)(F)F)cc21

HCID86645875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eead064a8b34b3ea0a8461b0c9c461a
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

[CH2:42]1[N:43]2[CH2:44][CH2:45][N:46]([CH2:47][CH2:48]2)[CH2:49]1.[CH3:30][O:31][C:32](=[O:33])[c:34]1[c:35]([Cl:41])[n:36][c:37]([Cl:40])[cH:38][cH:39]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:28]2)[N:21]([CH2:26][CH3:27])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:29])[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:28]2)[N:21]([CH2:26][CH3:27])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:29])[cH:4][cH:5][c:6]([O:8][c:37]2[n:36][c:35]([Cl:41])[c:34]([C:32]([O:31][CH3:30])=[O:33])[cH:39][cH:38]2)[cH:7]1