Hydrochloric Acid → Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-2-fluoro-acetamide

HRID 1567821Notes

Reaction equation

HRID 1567821 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[ClH:7].[F:1][CH2:2][C:3](=[O:4])[O:5][CH3:6].[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[O:8]1[CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][c:16]2[CH:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]2)[CH2:21][CH2:22]1.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][CH2:2][C:3](=[O:4])[NH:31][CH:28]1[CH2:27][CH2:26][CH:25]([CH2:24][CH2:23][N:20]2[CH2:19][CH2:18][CH:17]([c:16]3[c:11]4[c:12]([cH:13][cH:14][cH:15]3)[O:8][CH2:9][O:10]4)[CH2:22][CH2:21]2)[CH2:30][CH2:29]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 9959Methyl fluoroacetateHCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 706558824-[2-[4-(1,3-Benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

Product 1

HCID 60197887Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-2-fluoro-acetamide

Sources & evidence

ORD record
ord-380976376cd74114a52b77cc52a57672
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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