HRID1219214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32838

Diaminomethaniminium

CH6N3+

HCID4574913

未命名化合物

结构：COC(=O)c1cc(S(C)(=O)=O)c(N2CC(c3ccc(F)cc3)CS2(=O)=O)cc1C

HCID68462085

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CC(c3ccc(F)cc3)CS2(=O)=O)c(S(C)(=O)=O)cc1C(=O)NC(=N)N

HCID178427991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-152ebc693c5e473ba4604626194a7603
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

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[Cl-:7].[ClH:41].[F:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][N:21]([c:26]3[cH:27][c:28]([CH3:40])[c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][c:35]3[S:36](=[O:37])(=[O:38])[CH3:39])[S:22](=[O:24])(=[O:25])[CH2:23]2)[cH:17][cH:18]1.[K+:6].[NH2:8][C:9]([NH2:10])=[NH2+:11].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[NH:8]=[C:9]([NH2:10])[NH:11][C:30]([c:29]1[c:28]([CH3:40])[cH:27][c:26]([N:21]2[CH2:20][CH:19]([c:16]3[cH:15][cH:14][c:13]([F:12])[cH:18][cH:17]3)[CH2:23][S:22]2(=[O:24])=[O:25])[c:35]([S:36](=[O:37])(=[O:38])[CH3:39])[cH:34]1)=[O:31]