HRID96820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：COc1cc(C(=O)O)cc(F)c1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955621

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)cc(F)c1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ddddff3e0d544f7bc654e8c6ff70147
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

[CH3:34][N:35]1[CH2:36][CH2:37][CH:38]([NH2:41])[CH2:39][CH2:40]1.[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:33])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:33])[cH:24][c:25]([C:26](=[O:27])[NH:41][CH:38]5[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]5)[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1