HRID699869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773912

2-Chloro-4-(trifluoromethyl)pyrimidine

C5H2ClF3N2

结构：COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(CC(=O)NC1CCc3ccccc31)CC2

HCID22742716

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC2c3cc(Oc4nccc(C(F)(F)F)n4)c(OC)cc3CCN2CC(=O)NC2CCc3ccccc32)cc1OC

HCID22742737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efc16215d1f743f79d0024320635433c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:20][C:21](=[O:22])[NH:23][CH:24]3[CH2:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[CH2:9][CH2:10][c:11]3[cH:12][c:13]([O:18][CH3:19])[c:14]([OH:17])[cH:15][c:16]32)[cH:33][cH:34][c:35]1[O:36][CH3:37].[Cl:38][c:39]1[n:40][cH:41][cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[n:44]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:20][C:21](=[O:22])[NH:23][CH:24]3[CH2:25][CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]43)[CH2:9][CH2:10][c:11]3[cH:12][c:13]([O:18][CH3:19])[c:14]([O:17][c:39]4[n:40][cH:41][cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[n:44]4)[cH:15][c:16]32)[cH:33][cH:34][c:35]1[O:36][CH3:37]