Methanol → 3-Hydroxymethyl-5-methyl-2,3-dihydrobenzo[1,4]dioxine-6-carboxylic acid

HRID 173436Notes

Reaction equation

HRID 173436 reaction equation
[Ba+2:20].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:17])[c:7]2[c:8]([cH:15][cH:16]1)[O:9][CH2:10][CH:11]([CH2:13][OH:14])[O:12]2.[CH3:22][OH:23].[OH-:19].[OH-:21].[OH2:18]>>[O:2]=[C:3]([OH:4])[c:5]1[c:6]([CH3:17])[c:7]2[c:8]([cH:15][cH:16]1)[O:9][CH2:10][CH:11]([CH2:13][OH:14])[O:12]2

Participants

6

Sources & evidence

ORD record
ord-aaa49ad763e143d58fbb71cdfd1b0bd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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