Acetic Acid → HCID 136400708, compound

HRID 1125552Notes

Reaction equation

HRID 1125552 reaction equation
[C:28]([OH:29])(=[O:30])[CH3:31].[CH3:1][c:2]1[n:3][c:4]([CH3:16])[c:5]([CH3:15])[c:6](=[O:14])[n:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[O:17]=[CH:18][c:19]1[c:20]([OH:21])[c:22]([O:23][CH3:24])[cH:25][cH:26][cH:27]1>>[CH:1]([c:2]1[n:3][c:4]([CH3:16])[c:5]([CH3:15])[c:6](=[O:14])[n:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[CH:18][c:19]1[c:20]([OH:21])[c:22]([O:23][CH3:24])[cH:25][cH:26][cH:27]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8991o-VanillinHCID 58306049HCID 58306049, compound

Product 1

HCID 136400708HCID 136400708, compound

Sources & evidence

ORD record
ord-c51e847d6b424166a5f1c969fa2d601c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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