Benzene → Pivalic acid

HRID 1215178Notes

Reaction equation

HRID 1215178 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][S:24](=[O:25])(=[O:26])[CH2:27][C:28](=[O:29])[CH:30]=[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]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:30][C:28]([CH2:27][S:24]([CH3:23])(=[O:25])=[O:26])=[O:29])[CH:15]12

Participants

6

Reactant 4

HCID 241BenzeneHCID 6417Pivalic acidHCID 20400056MethylsulphonylacetylmethylenetriphenylphosphoraneHCID 537068053,3-Dimethyl-4-methylidene-6,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Product 2

HCID 6417Pivalic acidHCID 178503051HCID 178503051, compound

Sources & evidence

ORD record
ord-cd67d64834d94f60be3b9cd5df775036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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