Hydrochloric Acid → N-((1-hydroxy-1H-spiro[benzo[c][1,2]oxaborole-3,1'-cyclopentan]-6-yl)methyl)-2-methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzamide

HRID 2161550Notes

Reaction equation

HRID 2161550 reaction equation
[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:25]([F:26])([F:27])[F:28])[CH2:11][C:12]([c:15]3[cH:16][c:17]([CH3:24])[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8].[ClH:62].[NH2:63][CH2:64][c:65]1[cH:66][cH:67][c:68]2[c:69]([cH:78]1)[B:70]([OH:77])[O:71][C:72]21[CH2:73][CH2:74][CH2:75][CH2:76]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:25]([F:26])([F:27])[F:28])[CH2:11][C:12]([c:15]3[cH:16][c:17]([CH3:24])[c:18]([C:19](=[O:21])[NH:63][CH2:64][c:65]4[cH:66][cH:67][c:68]5[c:69]([cH:78]4)[B:70]([OH:77])[O:71][C:72]54[CH2:73][CH2:74][CH2:75][CH2:76]4)[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 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 86685481(1-Hydroxyspiro[2,1-benzoxaborole-3,1'-cyclopentane]-6-yl)methanamine

Product 1

HCID 71576149N-((1-hydroxy-1H-spiro[benzo[c][1,2]oxaborole-3,1'-cyclopentan]-6-yl)methyl)-2-methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzamide

Sources & evidence

ORD record
ord-7b865da34a614be38c4a5377a6cedc22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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