Bicarbonate Ion → 4-{1-[2,5-Difluoro-4-(1-hydroxy-ethyl)-phenyl]-piperidin-4-ylideneaminooxy}-piperidine-1-carboxylic acid isopropyl ester

HRID 206109Notes

Reaction equation

HRID 206109 reaction equation
[BH4-:1].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][OH:41].[CH:3]([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][CH:12]([O:15][N:16]=[C:17]2[CH2:18][CH2:19][N:20]([c:23]3[c:24]([F:33])[cH:25][c:26]([C:30]([CH3:31])=[O:32])[c:27]([F:29])[cH:28]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14]1.[Na+:2].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[CH:3]([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[N:9]1[CH2:10][CH2:11][CH:12]([O:15][N:16]=[C:17]2[CH2:18][CH2:19][N:20]([c:23]3[c:24]([F:33])[cH:25][c:26]([CH:30]([CH3:31])[OH:32])[c:27]([F:29])[cH:28]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 866550104-[1-(4-Acetyl-2,5-difluoro-phenyl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl ester

Product 1

HCID 583335224-{1-[2,5-Difluoro-4-(1-hydroxy-ethyl)-phenyl]-piperidin-4-ylideneaminooxy}-piperidine-1-carboxylic acid isopropyl ester

Sources & evidence

ORD record
ord-500611505a944e3ca1831bbd47be8931
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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