HRID2123362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1

HCID67013573

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1

HCID67015083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcde438140914a9c9fe4ae89330e6f97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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