Chloride → 2-Methyloctanoic acid

HRID 304444Notes

Reaction equation

HRID 304444 reaction equation
[Al+3:14].[CH3:29][CH:30]([C:31](=[O:32])[OH:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:2][CH:3]([C:4](=[O:5])[OH:6])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].[Cl-:13].[Cl-:15].[Cl-:16].[Cl-:1].[ClH:40].[O-:41][N+:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:49].[c:17]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:29][CH:30]([C:31](=[O:32])[OH:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:2][CH:3]([C:4](=[O:5])[c:20]1[cH:19][cH:18][c:17](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:22][cH:21]1)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12]

Participants

8

Reactant 6

HCID 312Chloride4×HCID 313Hydrochloric AcidHCID 7095BiphenylHCID 7416NitrobenzeneHCID 942512-Methyloctanoic acid2×HCID 104727Aluminum Cation

Product 2

HCID 942512-Methyloctanoic acidHCID 21649526HCID 21649526, compound

Sources & evidence

ORD record
ord-0f85c79fbc0346d99d35ead0bd8a2acf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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