HRID99523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID10422

Azetidine

C3H7N

结构：Cc1cc(F)ncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1C

HCID72234628

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCC2)ncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1C

HCID72234659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69842430687f40219de627d4d2cabe56
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

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