Hydrochloric Acid → 4-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-((1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methyl)-2-methylbenzamide

HRID 1559011Notes

Reaction equation

HRID 1559011 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:75][C:76]#[N:77].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[ClH:59].[ClH:74].[NH2:60][CH2:61][c:62]1[cH:63][c:64]2[c:65]([cH:72][cH:73]1)[B:66]([OH:71])[O:67][C:68]2([CH3:69])[CH3:70].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([C:18](=[O:20])[NH:60][CH2:61][c:62]4[cH:63][c:64]5[c:65]([cH:72][cH:73]4)[B:66]([OH:71])[O:67][C:68]5([CH3:69])[CH3:70])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 231598114-(5-(3,5-Dichlorophenyl)-5-(tri fluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acidHCID 86685452HCID 86685452, compound

Product 1

HCID 715758814-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-((1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methyl)-2-methylbenzamide

Sources & evidence

ORD record
ord-184f8a465de7428ba79d6af6ce798aa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…