HRID1241177

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

HCID66611169

未命名化合物

HCID71480922

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(-c2nc(C)nc(N)n2)c1

HCID59548419

N′-[5-[[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxy-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-N,N-dimethylsulfamide

C17H20ClN9O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc355c047d1f4ccea8e4690d369a0364
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

[CH3:34][Si:35]([N-:36][Si:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl-:43].[F:16][c:17]1[n:18][cH:19][c:20]([O:31][CH3:32])[cH:21][c:22]1-[c:23]1[n:24][c:25]([NH2:30])[n:26][c:27]([CH3:29])[n:28]1.[NH2:1][c:2]1[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[N:13]([CH3:14])[CH3:15])[c:5]([Cl:8])[n:6][cH:7]1.[NH4+:44].[Na+:33].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[NH:1]([c:2]1[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[N:13]([CH3:14])[CH3:15])[c:5]([Cl:8])[n:6][cH:7]1)[c:17]1[n:18][cH:19][c:20]([O:31][CH3:32])[cH:21][c:22]1-[c:23]1[n:24][c:25]([NH2:30])[n:26][c:27]([CH3:29])[n:28]1