Ethanol → HCID 12852073, compound

HRID 1113230Notes

Reaction equation

HRID 1113230 reaction equation
[CH3:30][CH2:31][OH:32].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([C:15]([c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)=[O:23])[CH2:13][CH2:14]2)[cH:24][cH:25][cH:26][cH:27]1.[Na+:29].[OH-:28].[OH2:33]>>[NH:1]1[c:2]2[c:3]([cH:24][cH:25][cH:26][cH:27]2)[C:4](=[O:5])[N:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([C:15]([c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)=[O:23])[CH2:13][CH2:14]2)[CH2:30]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 30186512-Amino-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}benzene-1-carboximidic acid

Product 1

HCID 12852073HCID 12852073, compound

Sources & evidence

ORD record
ord-c6b06b92a19e44779687d253f29bb181
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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