Acetic Acid → (+/-)-3'-(1-((1-Methyl-4-phenylpiperidin-4-yl)methoxy)ethyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile

HRID 1217768Notes

Reaction equation

HRID 1217768 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:19]([CH3:20])[O:21][CH2:22][C:23]3([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:24][CH2:25][N:26]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:27][CH2:28]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:7][cH:8]1.[C:52]([BH3-:53])#[N:54].[CH2:42]([Cl:43])[Cl:44].[CH3:56][C:57](=[O:58])[OH:59].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[Na+:55]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:19]([CH3:20])[O:21][CH2:22][C:23]3([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 58993681(+/-)-tert-Butyl 4-((1-(4'-cyano-5-(trifluoromethyl)biphenyl-3-yl)ethoxy)methyl)-4-phenylpiperidine-1-carboxylate

Product 1

HCID 24785983(+/-)-3'-(1-((1-Methyl-4-phenylpiperidin-4-yl)methoxy)ethyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile

Sources & evidence

ORD record
ord-94ba33f26c324087a7c05d49e358627f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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