HRID107049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID11355826

1-(Methanesulfonyl)piperidin-4-amine

C6H14N2O2S

结构：O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F)c1c(F)cccc1F

HCID57989866

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCC(Nc2nccc(-c3sc(N4CCOCC4)nc3-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)n2)CC1

HCID57989660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc33f5ecf2e43b3949e2645c9c45966
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

[CH3:38][S:39](=[O:40])(=[O:41])[N:42]1[CH2:43][CH2:44][CH:45]([NH2:48])[CH2:46][CH2:47]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:37])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[c:30]([F:36])[cH:31][cH:32][cH:33][c:34]4[F:35])[cH:22][cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1.[OH:49][CH2:50][C:51]([F:52])([F:53])[F:54]>>[c:2]1([NH:48][CH:45]2[CH2:44][CH2:43][N:42]([S:39]([CH3:38])(=[O:40])=[O:41])[CH2:47][CH2:46]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:19]3[c:20]([F:37])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[c:30]([F:36])[cH:31][cH:32][cH:33][c:34]4[F:35])[cH:22][cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[s:12]2)[n:7]1