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

HRID 2138348Notes

Reaction equation

HRID 2138348 reaction equation
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([C:11]2=[N:12][O:13][C:14]([C:16]([F:17])([F:18])[F:19])([c:20]3[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[c:24]([Cl:26])[cH:25]3)[CH2:15]2)[cH:10]1.[CH3:69][C:70]#[N:71].[ClH:53].[ClH:68].[NH2:54][CH2:55][c:56]1[cH:57][c:58]2[c:59]([cH:66][cH:67]1)[B:60]([OH:65])[O:61][C:62]2([CH3:63])[CH3:64].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:54][CH2:55][c:56]2[cH:57][c:58]3[c:59]([cH:66][cH:67]2)[B:60]([OH:65])[O:61][C:62]3([CH3:63])[CH3:64])[cH:7][cH:8][c:9]([C:11]2=[N:12][O:13][C:14]([C:16]([F:17])([F:18])[F:19])([c:20]3[cH:21][c:22]([Cl:28])[c:23]([Cl:27])[c:24]([Cl:26])[cH:25]3)[CH2:15]2)[cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 866854502-Methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzoic acidHCID 86685452HCID 86685452, compound

Product 1

HCID 71575880N-((1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methyl)-2-methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzamide

Sources & evidence

ORD record
ord-6704a0378ff6415ca94b8941da40cca7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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