Acetate → Ethyl 3-(cyclopentylamino)-2,2-difluoropropanoate

HRID 207733Notes

Reaction equation

[C:17]([O-:18])(=[O:19])[CH3:20].[C:22]([O:23][BH-:24]([O:25][C:26](=[O:27])[CH3:28])[O:29][C:30](=[O:31])[CH3:32])(=[O:33])[CH3:34].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[NH2:1][CH2:2][C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])([F:9])[F:10].[Na+:21].[Na+:35].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[O:11]=[C:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1>>[NH:1]([CH2:2][C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])([F:9])[F:10])[CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1

Participants

Reactant 8

HCID 175Acetate

HCID 769Bicarbonate Ion

HCID 923Sodium ion3×

HCID 8028Tetrahydrofuran

HCID 8452Cyclopentanone

HCID 8857Ethyl Acetate

HCID 2724942Triacetoxyborohydride

HCID 49853528Ethyl 3-amino-2,2-difluoropropanoate

Product 1

HCID 57634998Ethyl 3-(cyclopentylamino)-2,2-difluoropropanoate

Sources & evidence

ORD record: ord-d43450c22bec4721acb56d96611e3e5b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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