HRID313763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57416090

2-[4-(4-Aminophenyl)piperidin-1-yl]ethan-1-ol

C13H20N2O

结构：O=S(=O)(c1cccc(-c2ccc3cnc(O)nn23)c1)N1CCOCC1

HCID178527325

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CCO)CC5)cc4)nn23)c1)N1CCOCC1

HCID66711545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f791e676d654e2eb3311f13b82f9cde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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