Acetic Acid → Ethyl 4-(dibenzylamino)-2-methylcyclopentanecarboxylate

HRID 182569Notes

Reaction equation

HRID 182569 reaction equation
[C:13]([OH:14])(=[O:15])[CH3:16].[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:1][CH:2]1[CH:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:4][C:5](=[O:7])[CH2:6]1.[Na+:45].[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[CH3:1][CH:2]1[CH:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:4][CH:5]([N:24]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 7656DibenzylamineHCID 2724942TriacetoxyborohydrideHCID 13089479Ethyl 2-methyl-4-oxocyclopentanecarboxylate

Product 1

HCID 58010318Ethyl 4-(dibenzylamino)-2-methylcyclopentanecarboxylate

Sources & evidence

ORD record
ord-f9e3f58eff5d4d4a88db2bd90a6a440c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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