Water → 1-phenyl-1H-imidazole-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

HRID 156775Notes

Reaction equation

HRID 156775 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].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[F:56][C:57]([c:58]1[c:59]([O:60][CH:61]2[CH2:62][CH2:63][NH:64][CH2:65][CH2:66]2)[cH:67][cH:68][cH:69][cH:70]1)([F:71])[F:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[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:64]3[CH2:63][CH2:62][CH:61]([O:60][c:59]4[c:58]([C:57]([F:56])([F:71])[F:72])[cH:70][cH:69][cH:68][cH:67]4)[CH2:66][CH2:65]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 50187904-[2-(Trifluoromethyl)phenoxy]piperidineHCID 66591819[(1-phenyl-1H-imidazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 578744641-phenyl-1H-imidazole-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-3180f4bdd47e42699d11d7de32dd8682
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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