Acetic Acid → Methyl 2-(2-cyclopropylethylamino)cycloheptane-1-carboxylate

HRID 687831Notes

Reaction equation

HRID 687831 reaction equation
[C:20]([O:21][BH-:22]([O:23][C:24](=[O:25])[CH3:26])[O:27][C:28](=[O:29])[CH3:30])(=[O:31])[CH3:32].[C:34](=[O:35])([OH:36])[O-:37].[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH2:13])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:39][OH:40].[CH3:44][C:45](=[O:46])[OH:47].[CH:14]1([CH2:17][CH:18]=[O:19])[CH2:15][CH2:16]1.[Cl:41][CH2:42][Cl:43].[ClH:1].[Na+:33].[Na+:38]>>[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:13][CH2:18][CH2:17][CH:14]2[CH2:15][CH2:16]2)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 4650515Methyl 2-aminocycloheptane-1-carboxylateHCID 103078492-Cyclopropylacetaldehyde

Product 1

HCID 57671217Methyl 2-(2-cyclopropylethylamino)cycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-a55497de8b3b42a18d3d9f1a5aa3e151
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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