Hydrochloric Acid → methyl 2-[(3,4-difluorophenyl)methylamino]cyclopentane-1-carboxylate

HRID 214295Notes

Reaction equation

HRID 214295 reaction equation
[BH4-:35].[C:37](=[O:38])([OH:39])[O-:40].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH2:11])[CH2:8][CH2:9][CH2:10]1.[CH3:47][OH:48].[ClH:1].[F:25][c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32][c:33]1[F:34].[Mg+2:12].[Na+:36].[Na+:41].[O-:13][S:14](=[O:15])(=[O:16])[O-:17].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:49]>>[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:11][CH2:29][c:28]2[cH:27][c:26]([F:25])[c:33]([F:34])[cH:32][cH:31]2)[CH2:8][CH2:9][CH2:10]1

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 5880883,4-DifluorobenzaldehydeHCID 14698813Methyl 2-aminocyclopentanecarboxylate

Product 1

HCID 178497434methyl 2-[(3,4-difluorophenyl)methylamino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-446c8b071afd4686832e20f97311ccbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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