Hydrochloric Acid → 1-phenyl-1H-imidazole-4-carboxylic acid {2-[4-(3-fluoro-5-trifluoromethyl-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 141837Notes

Reaction equation

HRID 141837 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[F:50][c:51]1[cH:52][c:53]([O:54][CH:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[cH:61][c:62]([C:64]([F:65])([F:66])[F:67])[cH:63]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[n:16]2[cH:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[n:16]2[cH:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:58]3[CH2:57][CH2:56][CH:55]([O:54][c:53]4[cH:52][c:51]([F:50])[cH:63][c:62]([C:64]([F:65])([F:66])[F:67])[cH:61]4)[CH2:60][CH2:59]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 665915184-[3-Fluoro-5-(trifluoromethyl)phenoxy]piperidineHCID 66591819[(1-phenyl-1H-imidazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 578744701-phenyl-1H-imidazole-4-carboxylic acid {2-[4-(3-fluoro-5-trifluoromethyl-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-5fdfe23b8d7843b1baa322048c81062c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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