HRID1127361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3280088

未命名化合物

HCID66600424

未命名化合物

HCID66611818

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O

HCID59548222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9015ecb8e7f493fb19608e1ff717385
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:32][Si:33]([N-:34][Si:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl-:41].[Cl:15][c:16]1[cH:17][c:18](-[c:23]2[n:24][c:25]([NH2:30])[n:26][c:27]([CH3:29])[n:28]2)[c:19]([F:22])[n:20][cH:21]1.[NH2:1][c:2]1[cH:3][c:4]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:5]([O:8][CH3:9])[n:6][cH:7]1.[NH4+:42].[Na+:31].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[NH:1]([c:2]1[cH:3][c:4]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:5]([O:8][CH3:9])[n:6][cH:7]1)[c:19]1[c:18](-[c:23]2[n:24][c:25]([NH2:30])[n:26][c:27]([CH3:29])[n:28]2)[cH:17][c:16]([Cl:15])[cH:21][n:20]1