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

HRID 1113652Notes

Reaction equation

HRID 1113652 reaction equation
[Br:19][c:20]1[s:21][c:22]([N+:25](=[O:26])[O-:27])[n:23][n:24]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]1[c:7]2[c:8]([cH:12][c:13]([OH:17])[cH:14][c:15]2[CH3:16])[B:9]([OH:11])[O:10]1)=[O:18].[CH3:35][C:36]#[N:37].[ClH:34].[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]1[c:7]2[c:8]([cH:12][c:13]([O:17][c:20]3[s:21][c:22]([N+:25](=[O:26])[O-:27])[n:23][n:24]3)[cH:14][c:15]2[CH3:16])[B:9]([OH:11])[O:10]1)=[O:18]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 122078702-Bromo-5-nitro-1,3,4-thiadiazoleHCID 58292549Ethyl 2-(1,6-dihydroxy-4-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetate

Product 1

HCID 58292621Ethyl 2-(1-hydroxy-4-methyl-6-(5-nitro-1,3,4-thiadiazol-2-yloxy)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetate

Sources & evidence

ORD record
ord-783701583fba4190942128084115eade
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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