HRID2326019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70018

Benzenesulfonamide, p-(trifluoromethyl)-

C7H6F3NO2S

HCID53426661

Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

C10H17NO2

结构：COC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1

HCID58074353

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C12CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)(CC1)CC2

HCID67224524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c60508636249a987ca39017099326f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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