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

HRID 160666Notes

Reaction equation

HRID 160666 reaction equation
[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[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:61].[NH2:62][CH2:63][CH2:64][c:65]1[cH:66][cH:67][c:68]2[c:69]([cH:76]1)[B:70]([OH:75])[O:71][C:72]2([CH3:73])[CH3:74].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]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:19])[NH:62][CH2:63][CH2:64][c:65]4[cH:66][cH:67][c:68]5[c:69]([cH:76]4)[B:70]([OH:75])[O:71][C:72]5([CH3:73])[CH3:74])[cH:21][cH:22]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 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 866854832,1-Benzoxaborole-6-ethanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-

Product 1

HCID 715762264-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)ethyl)-2-methylbenzamide

Sources & evidence

ORD record
ord-963dc0c9de304c2495e5250342db9267
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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