Acetic Acid → 4-(4-Benzylpiperazinyl)1-phenylcyclohexanecarbonitrile

HRID 165435Notes

Reaction equation

HRID 165435 reaction equation
[C:1](#[N:2])[C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1.[C:33]([BH3-:34])#[N:35].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:29][C:30](=[O:31])[OH:32].[CH3:37][CH2:38][OH:39].[Na+:36].[OH2:40]>>[C:1](#[N:2])[C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][CH:6]([N:26]2[CH2:25][CH2:24][N:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:28][CH2:27]2)[CH2:7][CH2:8]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 759941-BenzylpiperazineHCID 912824-Oxo-1-phenylcyclohexanenitrileHCID 498716Cyano-borohydride

Product 1

HCID 540914944-(4-Benzylpiperazinyl)1-phenylcyclohexanecarbonitrile

Sources & evidence

ORD record
ord-1260b152fb90454ab758a22928188463
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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