Hydrochloric Acid → 4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3,3-diethyl-1-hydroxy-2,1-benzoxaborol-6-yl)methyl]-2-methylbenzamide

HRID 1150640Notes

Reaction equation

HRID 1150640 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[F: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]2([CH2:73][CH3:74])[CH2:75][CH3:76].[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:20])[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]5([CH2:73][CH3:74])[CH2:75][CH3:76])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[F: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 866854534-(5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acidHCID 86685471HCID 86685471, compound

Product 1

HCID 715760744-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3,3-diethyl-1-hydroxy-2,1-benzoxaborol-6-yl)methyl]-2-methylbenzamide

Sources & evidence

ORD record
ord-8da57b89a2004d15af85641ec1cd1627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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