Hydrochloric Acid → 1-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[3-(2,5-difluoro-phenoxy)-pyrrolidin-1-yl]-2-oxo-ethyl}-amide

HRID 1201146Notes

Reaction equation

HRID 1201146 reaction equation
[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:56].[F:57][c:58]1[c:59]([O:60][CH:61]2[CH2:62][NH:63][CH2:64][CH2:65]2)[cH:66][c:67]([F:70])[cH:68][cH:69]1.[NH2:28][c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1.[n:10]1[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:20]2)[cH:13][cH:14][cH:15]1>>[n:10]1[cH:11][c:12](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:63]3[CH2:62][CH:61]([O:60][c:59]4[c:58]([F:57])[cH:69][cH:68][c:67]([F:70])[cH:66]4)[CH2:65][CH2:64]3)[cH:20]2)[cH:13][cH:14][cH:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 100093-AminopyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 450755443-(2,5-Difluorophenoxy)pyrrolidineHCID 66592012[(1-pyridin-3-yl-1H-[1,2,3]triazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 442350241-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[3-(2,5-difluoro-phenoxy)-pyrrolidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-0537a07f9b494fe29b3aaf23446ef12a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…