HRID309276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18314250

1-(Piperidin-4-yl)pyrrolidin-2-one

C9H16N2O

结构：Cc1ccccc1-c1nc(S(C)(=O)=O)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

HCID22053591

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1nc(N2CCC(N3CCCC3=O)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

HCID22053562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2965aee6bbe146a3bd0864fd95737185
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

[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[c:9]3[c:10]([n:15][c:16]([S:26]([CH3:27])(=[O:28])=[O:29])[n:17][c:18]3-[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[NH:11][CH2:12][CH2:13][CH2:14]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[O:40]=[C:41]1[N:42]([CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[CH2:43][CH2:44][CH2:45]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[c:9]3[c:10]([n:15][c:16]([N:49]4[CH2:48][CH2:47][CH:46]([N:42]5[C:41](=[O:40])[CH2:45][CH2:44][CH2:43]5)[CH2:51][CH2:50]4)[n:17][c:18]3-[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[NH:11][CH2:12][CH2:13][CH2:14]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]