Acetonitrile → 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 204221Notes

Reaction equation

HRID 204221 reaction equation
[Br:19][c:20]1[s:21][c:22]([N+:25](=[O:26])[O-:27])[n:23][n:24]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][C:35]#[N:36].[Cs+:32].[Cs+:33].[OH:1][B:2]1[O:3][CH:4]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:5]2[c:6]1[cH:7][c:8]([OH:12])[cH:9][c:10]2[CH3:11]>>[OH:1][B:2]1[O:3][CH:4]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:5]2[c:6]1[cH:7][c:8]([O:12][c:20]1[s:21][c:22]([N+:25](=[O:26])[O-:27])[n:23][n:24]1)[cH:9][c:10]2[CH3:11]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 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-50e09ee3b87b460893c1d1a39143f576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…