Hydrochloric Acid → 2-(4-Fluoro-benzylamino)-cyclohexanecarboxylic acid ethyl ester

HRID 1563620Notes

Reaction equation

HRID 1563620 reaction equation
[BH4-:36].[C:38](=[O:39])([OH:40])[O-:41].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH:8]([NH2:13])[CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[ClH:1].[F:27][c:28]1[cH:29][cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35]1.[Mg+2:14].[Na+:37].[Na+:42].[O-:15][S:16](=[O:17])(=[O:18])[O-:19].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH:8]([NH:13][CH2:32][c:31]2[cH:30][cH:29][c:28]([F:27])[cH:35][cH:34]2)[CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 680234-FluorobenzaldehydeHCID 4171533Ethyl 2-aminocyclohexanecarboxylate

Product 1

HCID 576712242-(4-Fluoro-benzylamino)-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-0a8a970196a84162afc1430037e0f363
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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