Hydroxide → 2-(6-(5-Amino-1,3,4-thiadiazol-2-yloxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)propanoic acid

Reaction equation

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[Li+:28].[NH2:1][c:2]1[n:3][n:4][c:5]([O:7][c:8]2[cH:9][c:10]([CH3:25])[c:11]3[c:12]([cH:24]2)[B:13]([OH:23])[O:14][CH:15]3[CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH3:22])[s:6]1.[OH-:27].[OH2:26].[OH2:29]>>[NH2:1][c:2]1[n:3][n:4][c:5]([O:7][c:8]2[cH:9][c:10]([CH3:25])[c:11]3[c:12]([cH:24]2)[B:13]([OH:23])[O:14][CH:15]3[CH:16]([C:17](=[O:18])[OH:19])[CH3:22])[s:6]1

Participants

Reactant 5

HCID 961Hydroxide

HCID 962Water2×

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 58292692Ethyl 2-(6-(5-amino-1,3,4-thiadiazol-2-yloxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)propanoate

Product 1

HCID 582927322-(6-(5-Amino-1,3,4-thiadiazol-2-yloxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)propanoic acid

Sources & evidence

ORD record: ord-894d0f1e9a6549fe96acf2e06673cdc2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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