HRID2134080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID11210451

tert-Butyl 4-(4-bromoanilino)piperidine-1-carboxylate

C16H23BrN2O2

HCID12019237

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

C15H16ClNO3

PRODUCTS

生成物

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

HCID22557872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baddcc55621f488b8dcb89abecd6f03d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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