HRID939969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID130500

未命名化合物

HCID57354332

1-[5-(Methanesulfonyl)pyridin-2-yl]methanamine

C7H10N2O2S

结构：Cc1c(-c2ccnn2C)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID59455875

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID46861623

Alvelestat

C25H22F3N5O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f495edabdb054a78a315225cb6264fbe
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH2:36][NH2:37])[n:34][cH:35]1.[CH3:38][c:39]1[c:40](-[c:59]2[n:60]([CH3:64])[n:61][cH:62][cH:63]2)[cH:41][c:42]([C:56](=[O:57])[OH:58])[c:43](=[O:55])[n:44]1-[c:45]1[cH:46][c:47]([C:51]([F:52])([F:53])[F:54])[cH:48][cH:49][cH:50]1.[CH3:65][N:66]1[CH2:67][CH2:68][CH2:69][C:70]1=[O:71].[ClH:25].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([CH2:36][NH:37][C:56]([c:42]2[cH:41][c:40](-[c:59]3[n:60]([CH3:64])[n:61][cH:62][cH:63]3)[c:39]([CH3:38])[n:44](-[c:45]3[cH:46][c:47]([C:51]([F:52])([F:53])[F:54])[cH:48][cH:49][cH:50]3)[c:43]2=[O:55])=[O:57])[n:34][cH:35]1