Benzene → Pivalic acid

HRID 151303Notes

Reaction equation

HRID 151303 reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[OH:7].[CH2:8]=[S:9]1[C:10]([CH3:21])([CH3:22])[CH:11]([C:18](=[O:19])[OH:20])[N:12]2[C:13](=[O:17])[C:14](=[O:16])[CH:15]12.[CH3:23][CH:24]([C:25](=[O:26])[CH:27]=[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH3:47].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[OH:7].[CH2:8]=[S:9]1[C:10]([CH3:21])([CH3:22])[CH:11]([C:18](=[O:19])[OH:20])[N:12]2[C:13](=[O:17])[C:14](=[CH:27][C:25]([CH:24]([CH3:23])[CH3:47])=[O:26])[CH:15]12

Participants

6

Reactant 4

HCID 241BenzeneHCID 6417Pivalic acidHCID 110785133-Methyl-1-(triphenylphosphoranylidene)butan-2-oneHCID 537068053,3-Dimethyl-4-methylidene-6,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Product 2

HCID 6417Pivalic acidHCID 178503047HCID 178503047, compound

Sources & evidence

ORD record
ord-d79e5f8ad834450d88c0ef52e8e80bcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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