HRID290422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2759010

2-Fluoro-N-methylaniline

C7H8FN

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)O)cc1

HCID57942326

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1F

HCID57942551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-360d04edff2a427786b1e9c35ec788ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([C:22](=[O:23])[OH:24])[n:17][cH:18][c:19]([Cl:21])[cH:20]2)[cH:9][cH:10]1.[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[F:25][c:26]1[c:27]([NH:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]1.[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([C:22](=[O:23])[N:32]([c:27]3[c:26]([F:25])[cH:31][cH:30][cH:29][cH:28]3)[CH3:33])[n:17][cH:18][c:19]([Cl:21])[cH:20]2)[cH:9][cH:10]1