Hydrochloric Acid → 6-(1-Hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-5-yloxy)-2-(2,2,2-trifluoro-ethoxy)-nicotinonitrile

HRID 800170Notes

Reaction equation

HRID 800170 reaction equation
[B:16]1([OH:26])[O:17][CH2:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([OH:25])[cH:24]2.[C:27](=[O:28])([O-:29])[O-:30].[Cl:1][c:2]1[n:3][c:4]([O:10][CH2:11][C:12]([F:13])([F:14])[F:15])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[ClH:33].[Cs+:31].[Cs+:32].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[c:2]1([O:25][c:23]2[cH:22][cH:21][c:20]3[c:19]([cH:24]2)[CH2:18][O:17][B:16]3[OH:26])[n:3][c:4]([O:10][CH2:11][C:12]([F:13])([F:14])[F:15])[c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 579686991,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-olHCID 866364576-Chloro-2-(2,2,2-trifluoro-ethoxy)-nicotinonitrile

Product 1

HCID 674398656-(1-Hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-5-yloxy)-2-(2,2,2-trifluoro-ethoxy)-nicotinonitrile

Sources & evidence

ORD record
ord-18bf5aa440014c34a0ba9ba90c489d44
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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