HRID118347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74680

Ethyl vinyl sulfone

C4H8O2S

结构：CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc2ncccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

HCID11505762

未命名化合物

PRODUCTS

生成物

结构：CC(c1nc2ncccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N(CCS(C)(=O)=O)C(=O)Cc1ccc(F)c(C(F)(F)F)c1

HCID76839663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99056e56abeb4742827d31dc40a67a6c
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

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