HRID1207195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID12268467

未命名化合物

结构：CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(O)cccc32)C(=O)N1Cc1ccc(F)cc1

HCID136400875

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(OCS(N)(=O)=O)cccc32)C(=O)N1Cc1ccc(F)cc1

HCID178441371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90660d9170f342fba6b220e43c29b3b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:32][CH2:33][S:34](=[O:35])(=[O:36])[NH2:37].[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[OH:28])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1.[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[I-:38].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[O:28][CH2:33][S:34](=[O:35])(=[O:36])[NH2:37])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1