Acetic Acid → HCID 14520025, compound

HRID 201508Notes

Reaction equation

HRID 201508 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:34][C:35]([OH:36])([CH3:37])[CH3:38].[CH3:5][O:6][c:7]1[c:8]([CH:19]=[O:20])[c:9]2[cH:10][cH:11][c:12]([O:17][CH3:18])[cH:13][c:14]2[cH:15][cH:16]1.[Cl+:1]([O-:2])[O-:3].[Na+:4].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:33].[OH:21][c:22]1[cH:23][c:24]([OH:25])[cH:26][cH:27][cH:28]1>>[CH3:5][O:6][c:7]1[c:8]([C:19](=[O:20])[OH:21])[c:9]2[cH:10][cH:11][c:12]([O:17][CH3:18])[cH:13][c:14]2[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 5054ResorcinolHCID 6386tert-ButanolHCID 312751,4-DioxaneHCID 197148ChloriteHCID 12583354HCID 12583354, compound

Product 1

HCID 14520025HCID 14520025, compound

Sources & evidence

ORD record
ord-97b10dabc29d421086e3ca88a94b501b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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