1,2-Dichloroethane → 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[2-oxo-3-(3,4,5-trifluorophenyl)piperidin-1-yl]prop-2-enamide

HRID 1230250Notes

Reaction equation

HRID 1230250 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH2:65]([Cl:66])[CH2:67][Cl:68].[CH3:29][O:30][c:31]1[cH:32][c:33]([CH:43]=[CH:44][C:45](=[O:46])[OH:47])[cH:34][cH:35][c:36]1-[n:37]1[cH:38][n:39][c:40]([CH3:42])[cH:41]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[ClH:11].[NH2:12][N:13]1[C:14](=[O:28])[CH:15]([c:19]2[cH:20][c:21]([F:27])[c:22]([F:26])[c:23]([F:25])[cH:24]2)[CH2:16][CH2:17][CH2:18]1.[Na+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:48].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[NH:12]([N:13]1[C:14](=[O:28])[CH:15]([c:19]2[cH:20][c:21]([F:27])[c:22]([F:26])[c:23]([F:25])[cH:24]2)[CH2:16][CH2:17][CH2:18]1)[C:45]([CH:44]=[CH:43][c:33]1[cH:32][c:31]([O:30][CH3:29])[c:36](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:34]1)=[O:46]

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 668393801-Amino-3-(3,4,5-trifluorophenyl)piperidin-2-oneHCID 668395163-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid

Product 1

HCID 668393343-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[2-oxo-3-(3,4,5-trifluorophenyl)piperidin-1-yl]prop-2-enamide

Sources & evidence

ORD record
ord-1b4ebe31a8cb47e18de16b3c22bbb83e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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