HRID109499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67164

Thiamorpholine

C4H9NS

结构：CN(C(=O)N(C)C1CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178485908

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)N2CCSCC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123619881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c76754346934b8db197aa4a798a86be
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

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