HRID1547982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2736887

1-methyl-1H-imidazole-4-sulfonyl chloride

C4H5ClN2O2S

结构：CC(C)c1nc(-c2ccc(F)c(N)c2)c(-c2ccnc(Cl)n2)s1

HCID57989785

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3cn(C)cn3)c2)c(-c2ccnc(Cl)n2)s1

HCID86636583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f55f1163b2fe40cdbb0b7d8810d2ae96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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