Benzene → Pivalic acid

HRID 2324628Notes

Reaction equation

HRID 2324628 reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[OH:7].[CH2:23]([CH3:24])[O:25][P:26](=[O:27])([O:28][CH2:29][CH3:30])[CH2:31][C:32](=[O:33])[CH:34]=[P:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[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.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]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:34][C:32]([CH2:31][P:26]([O:25][CH2:23][CH3:24])(=[O:27])[O:28][CH2:29][CH3:30])=[O:33])[CH:15]12

Participants

6

Reactant 4

HCID 241BenzeneHCID 6417Pivalic acidHCID 4361785Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonateHCID 537068053,3-Dimethyl-4-methylidene-6,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Product 2

HCID 6417Pivalic acidHCID 178503050HCID 178503050, compound

Sources & evidence

ORD record
ord-cadc89d1f89748f2910620a3e59072b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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