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

Reaction equation

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

Participants

Reactant 5

HCID 961Hydroxide

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 58292581Ethyl 2-(6-(5-carbamoyl-1,3,4-thiadiazol-2-yloxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetate

Product 1

HCID 582927952-(6-(5-Carbamoyl-1,3,4-thiadiazol-2-yloxy)-1-hydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid

Sources & evidence

ORD record: ord-fc0513034822432694e23ed0ed9b47bb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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