Hydrochloric Acid → Alvelestat

HRID 1209370Notes

Reaction equation

HRID 1209370 reaction equation
[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

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 57354332(5-(Methylsulfonyl)pyridin-2-yl)methanamineHCID 594558756-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxylic acid

Product 1

HCID 46861623Alvelestat

Sources & evidence

ORD record
ord-75e4e128f1a94d82a26706717f0c6679
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…