HRID1125241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15733445

2-(4-Aminopiperidin-1-yl)ethan-1-ol

C7H16N2O

结构：COc1cc(C(=O)O)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253679

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(CCO)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f09e841e35e340fb81c3dff39f6c1a3f
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

[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:33])[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.[NH2:34][CH:35]1[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][OH:43])[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[cH:23][c:24]([F:33])[c:25]([C:26](=[O:27])[NH:34][CH:35]5[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][OH:43])[CH2:39][CH2:40]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