HRID1209370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID5250894

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-75e4e128f1a94d82a26706717f0c6679
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

[C:28]([c:29]1[nH:30][cH:31][cH:32][n:33]1)([c:34]1[nH:35][cH:36][cH:37][n:38]1)=[O:39].[CH3:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][n:25][n:26]2[CH3:27])[cH:4][c:5]([C:19](=[O:20])[OH:21])[c:6](=[O:18])[n:7]1-[c:8]1[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]1.[CH3:41][S:42](=[O:43])(=[O:44])[c:45]1[cH:46][cH:47][c:48]([CH2:51][NH2:52])[n:49][cH:50]1.[CH3:54][C:55]#[N:56].[ClH:40].[OH2:53]>>[CH3:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][n:25][n:26]2[CH3:27])[cH:4][c:5]([C:19](=[O:21])[NH:52][CH2:51][c:48]2[cH:47][cH:46][c:45]([S:42]([CH3:41])(=[O:43])=[O:44])[cH:50][n:49]2)[c:6](=[O:18])[n:7]1-[c:8]1[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]1