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

HRID 113892Notes

Reaction equation

HRID 113892 reaction equation
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][CH:53]([O:56][c:57]2[c:58]([Cl:64])[cH:59][cH:60][c:61]([F:63])[cH:62]2)[CH2:54][CH2:55]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[c:10]1(-[n:16]2[cH:17][n:18][c:19]([C:21](=[O:22])[OH:23])[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:23])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][CH:53]([O:56][c:57]4[c:58]([Cl:64])[cH:59][cH:60][c:61]([F:63])[cH:62]4)[CH2:54][CH2:55]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 234450471-Phenyl-1H-imidazole-4-carboxylic acidHCID 665915222-Amino-1-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-ethanone

Product 1

HCID 578744441-phenyl-1H-imidazole-4-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-78f1ed9e035b4368a540aa5cb9968cf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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