Methanol → Drometrizole

HRID 2313573Notes

Reaction equation

HRID 2313573 reaction equation
[CH3:53][OH:54].[Na+:2].[O:17]=[CH:18][CH:19]([CH:20]([CH:21]([CH:22]([CH2:23][OH:24])[OH:25])[OH:26])[OH:27])[OH:28].[OH-:1].[OH2:52].[OH:29][c:30]1[c:31](-[n:37]2[n:38][c:39]3[c:40]([n+:41]2[O-:42])[cH:43][cH:44][cH:45][cH:46]3)[cH:32][c:33]([CH3:36])[cH:34][cH:35]1.[S:47](=[O:48])(=[O:49])([OH:50])[OH:51].[cH:3]1[c:4]2[c:13]([cH:14][cH:15][cH:16]1)-[c:8]1[c:7]([cH:12][cH:11][cH:10][cH:9]1)[C:5]2=[O:6]>>[OH:29][c:30]1[c:31](-[n:37]2[n:38][c:39]3[c:40]([n:41]2)[cH:43][cH:44][cH:45][cH:46]3)[cH:32][c:33]([CH3:36])[cH:34][cH:35]1

Participants

9

Reactant 8

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 10241FluorenoneHCID 24749GlyTouCan:G09597LJHCID 132146462-(2-hydroxy-5-methylphenyl)benztriazole N-oxide

Product 1

HCID 17113Drometrizole

Sources & evidence

ORD record
ord-aff36cf9a3954ce39842b38a68e0c4f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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