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

HRID 209500Notes

Reaction equation

HRID 209500 reaction equation
[CH3:29][CH2:30][OH:31].[ClH:28].[OH2:32].[OH:1][B:2]1[O:3][CH:4]([CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH3:27])[c:5]2[c:6]1[cH:7][c:8]([O:12][c:13]1[s:14][c:15]([N+:18]([O-:19])=[O:20])[n:16][n:17]1)[cH:9][c:10]2[CH3:11]>>[OH:1][B:2]1[O:3][CH:4]([CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH3:27])[c:5]2[c:6]1[cH:7][c:8]([O:12][c:13]1[s:14][c:15]([NH2:18])[n:16][n:17]1)[cH:9][c:10]2[CH3:11]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 58292599Ethyl 2-(1-hydroxy-4-methyl-6-(5-nitro-1,3,4-thiadiazol-2-yloxy)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)propanoate

Product 1

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

Sources & evidence

ORD record
ord-a8fcbdfd373840698dd0439de0aaf169
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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