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

HRID 2317995Notes

Reaction equation

HRID 2317995 reaction equation
[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[CH3:57][c:58]1[c:59]([O:66][CH:67]2[CH2:68][CH2:69][NH:70][CH2:71][CH2:72]2)[cH:60][c:61]([C:62]#[N:63])[cH:64][cH:65]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:56].[NH2:28][c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[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:70]3[CH2:69][CH2:68][CH:67]([O:66][c:59]4[c:58]([CH3:57])[cH:65][cH:64][c:61]([C:62]#[N:63])[cH:60]4)[CH2:72][CH2:71]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 665916774-Methyl-3-piperidin-4-yloxybenzonitrileHCID 66592012[(1-pyridin-3-yl-1H-[1,2,3]triazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 442350221-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(5-cyano-2-methyl-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-29b46e82ddd64210a50e01406ebca126
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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