Hydrochloric Acid → 1-Isopropyl-3-oxocyclopentanecarboxylic acid

HRID 1115030Notes

Reaction equation

HRID 1115030 reaction equation
[C:1]([O:2][C:3]([NH:4][CH:9]1[CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH:17]([CH3:18])[CH3:19])[CH2:12][CH2:13]1)=[O:5])([CH3:6])([CH3:7])[CH3:8].[CH3:34][O-:35].[CH3:51][CH2:52][OH:53].[Cl:48][CH2:49][Cl:50].[ClH:20].[Na+:25].[Na+:36].[O-:21][C:22]([OH:23])=[O:24].[O:26]=[C:27]1[N:28]([Br:29])[C:30](=[O:31])[CH2:32][CH2:33]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[C:9]1(=[O:21])[CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH:17]([CH3:18])[CH3:19])[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 67184N-bromobutanimideHCID 3826051MethoxideHCID 235335173-(Tert-butoxycarbonylamino)-1-isopropylcyclopentanecarboxylic acid

Product 1

HCID 186143931-Isopropyl-3-oxocyclopentanecarboxylic acid

Sources & evidence

ORD record
ord-0ef77f092b4d46f8831030a2e4e4563a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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