HRID296832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID2775340

METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE

C8H5ClF3NO2

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(Oc4cc(C(F)(F)F)c(C(=O)OC)cn4)cc3Cl)C(F)(F)F)cc21

HCID86645874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35d94fcdea094bcf803084a8f765ef0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:45]1[N:46]2[CH2:47][CH2:48][N:49]([CH2:50][CH2:51]2)[CH2:52]1.[CH3:30][O:31][C:32]([c:33]1[cH:34][n:35][c:36]([Cl:43])[cH:37][c:38]1[C:39]([F:40])([F:41])[F:42])=[O:44].[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:36]2[n:35][cH:34][c:33]([C:32]([O:31][CH3:30])=[O:44])[c:38]([C:39]([F:40])([F:41])[F:42])[cH:37]2)[cH:7]1