HRID87106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID2776119

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

C17H26N2O3

HCID22558069

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2ccnc(-c3ccc(OC)c(OC)c3)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22557846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ce1f2d1d797473ab3ca262d0ddae40f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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