HRID1131745

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

HCID12021157

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cccc(CN(c3ccc(Br)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC)c1OC

HCID22557800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-825121d586a944189b19dc793b96f4fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[CH3:22][O:23][c:24]1[cH:25][c:26](-[c:34]2[cH:35][c:36]([CH2:37][Cl:38])[cH:39][cH:40][cH:41]2)[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31]>>[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)[CH2:37][c:36]2[cH:35][c:34](-[c:26]3[cH:25][c:24]([O:23][CH3:22])[c:29]([O:30][CH3:31])[c:28]([O:32][CH3:33])[cH:27]3)[cH:41][cH:40][cH:39]2)[cH:6][cH:7]1