Acetic Acid → HCID 178420965, compound

HRID 306973Notes

Reaction equation

HRID 306973 reaction equation
[C:48]([OH:49])([CH3:50])([CH3:51])[CH3:52].[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:7])[CH:8]3[C:9]4([CH3:10])[CH:11]([CH2:12][CH2:13]3)[CH:14]3[CH2:15][CH2:16][c:17]5[cH:18][c:19]([CH:26]=[O:27])[cH:20][cH:21][c:22]5[CH:23]3[CH2:24][CH2:25]4)[cH:28][cH:29][c:30]2[O:31]1.[CH3:32][C:33](=[CH:34][CH3:35])[CH3:36].[CH3:44][C:45](=[O:46])[OH:47].[Cl+:37]([O-:38])[O-:39].[Cl-:41].[Na+:40].[Na+:42].[OH2:43]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:7])[CH:8]3[C:9]4([CH3:10])[CH:11]([CH2:12][CH2:13]3)[CH:14]3[CH2:15][CH2:16][c:17]5[cH:18][c:19]([C:26](=[O:27])[OH:38])[cH:20][cH:21][c:22]5[CH:23]3[CH2:24][CH2:25]4)[cH:28][cH:29][c:30]2[O:31]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ion2×HCID 962WaterHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 178420964HCID 178420964, compound

Product 1

HCID 178420965HCID 178420965, compound

Sources & evidence

ORD record
ord-efa2d805dadc41668480b90d4adbc758
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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