HRID175833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12019237

4-chloromethyl-2-(3,4,5-trimethoxyphenyl) pyridine

C15H16ClNO3

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

HCID22029142

tert-Butyl 4-[4-(trifluoromethyl)anilino]piperidine-1-carboxylate

C17H23F3N2O2

PRODUCTS

生成物

结构：COc1cc(-c2cc(CN(c3ccc(C(F)(F)F)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc(OC)c1OC

HCID22557821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ab17bb6c2bc4dd29482f164447cac14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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