Hydrochloric Acid → 5-Phenyl-pyridine-2-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 299030Notes

Reaction equation

HRID 299030 reaction equation
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:52][c:53]1[c:54]([O:55][CH:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[cH:62][c:63]([F:66])[cH:64][cH:65]1.[ClH:50].[ClH:51].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[OH:19])[n:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:19])[N:59]3[CH2:58][CH2:57][CH:56]([O:55][c:54]4[c:53]([Cl:52])[cH:65][cH:64][c:63]([F:66])[cH:62]4)[CH2:61][CH2:60]3)[n:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 167327414-(2-Chloro-5-fluorophenoxy)piperidineHCID 57874442[(5-Phenyl-pyridine-2-carbonyl)-amino]-acetic acid

Product 1

HCID 442330225-Phenyl-pyridine-2-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-6efc1d2a697e4cef8aa33c3dff45c6a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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