Ammonia → Methyl 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiole-2-yl)propionate

HRID 146645Notes

Reaction equation

HRID 146645 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6](=[O:7])[O:9][c:10]1[c:11]([CH3:27])[c:12]([CH3:26])[c:13]2[c:14]([c:24]1[CH3:25])[S:15][CH:16]([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH3:23])[O:17]2)=[O:8].[CH3:29][OH:30].[NH3:28]>>[OH:9][c:10]1[c:11]([CH3:27])[c:12]([CH3:26])[c:13]2[c:14]([c:24]1[CH3:25])[S:15][CH:16]([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH3:23])[O:17]2

Participants

4

Reactant 3

HCID 222AmmoniaHCID 887MethanolHCID 14802162Methyl 3-[5-(3-methoxycarbonylpropionyloxy)-4,6,7-trimethyl-1,3-benzoxathiole-2-yl]propionate

Product 1

HCID 14802179Methyl 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiole-2-yl)propionate

Sources & evidence

ORD record
ord-2f6196263e3b45d4bcde5932963fe33a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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