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Acetic Acid → 1-(3-hydroxy-4-methoxybenzyl)-4-[{N-(3-(trifluoromethyl)benzoyl)glycyl}aminomethyl]piperidine

HRID 292054
Notes
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Reaction equation

HRID 292054 reaction equation
[C:36]([BH3-:37])#[N:38].[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:40][OH:41].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24].[Na+:39].[OH:25][c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32][c:33]1[O:34][CH3:35]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:29][c:28]3[cH:27][c:26]([OH:25])[c:33]([O:34][CH3:35])[cH:32][cH:31]3)[CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 12127IsovanillinHCID 498716Cyano-borohydrideHCID 184261644-[{N-(3(trifluoromethyl)benzoyl)glycyl}aminomethyl]piperidine

Product 1

HCID 18426263
1-(3-hydroxy-4-methoxybenzyl)-4-[{N-(3-(trifluoromethyl)benzoyl)glycyl}aminomethyl]piperidine

Sources & evidence

ORD record
ord-5dd1b73c6c1341fe969f39c99e050455
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes