Bicarbonate Ion → HCID 67067320, compound

HRID 2332242Notes

Reaction equation

HRID 2332242 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:14])[OH:15])=[CH:16][c:17]1[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]2[cH:24][n:25][c:26]([CH3:28])[cH:27]2)[cH:21][cH:22]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:31][c:32]1[cH:33][cH:34][c:35]([C:36]([CH2:37][Br:38])=[O:39])[cH:40][cH:41]1.[Na+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:48]>>[Cl:8][CH2:9][CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH2:37][C:36]([c:35]1[cH:34][cH:33][c:32]([F:31])[cH:41][cH:40]1)=[O:39])=[CH:16][c:17]1[cH:18][c:19]([O:29][CH3:30])[c:20](-[n:23]2[cH:24][n:25][c:26]([CH3:28])[cH:27]2)[cH:21][cH:22]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 967492-Bromo-1-(4-fluorophenyl)ethan-1-oneHCID 668396445-Chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid

Product 1

HCID 67067320HCID 67067320, compound

Sources & evidence

ORD record
ord-0541210ec43848bb9850920477f99c79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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