Hydrochloric Acid → N-(1-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)ethyl)-2-methyl-4-(5-(3,4,5-tri-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzamide

HRID 283244Notes

Reaction equation

HRID 283244 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.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:60].[NH2:61][CH:62]([CH3:63])[c:64]1[cH:65][cH:66][c:67]2[c:68]([cH:75]1)[B:69]([OH:74])[O:70][C:71]2([CH3:72])[CH3:73].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[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:5])[NH:61][CH:62]([CH3:63])[c:64]2[cH:65][cH:66][c:67]3[c:68]([cH:75]2)[B:69]([OH:74])[O:70][C:71]3([CH3:72])[CH3:73])[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

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 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 866854916-(1-aminoethyl)-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol

Product 1

HCID 71576227N-(1-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)ethyl)-2-methyl-4-(5-(3,4,5-tri-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzamide

Sources & evidence

ORD record
ord-ae4d0a5da97543febf6d6c28f47d5fbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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