Hydrochloric Acid → N-((3,3-bis(fluoromethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)methyl)-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxamide

HRID 1237560Notes

Reaction equation

HRID 1237560 reaction equation
[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:27]([F:28])([F:29])[F:30])[CH2:11][C:12]([c:15]3[n:16]4[cH:17][cH:18][cH:19][c:20]4[c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8].[ClH:64].[NH2:65][CH2:66][c:67]1[cH:68][cH:69][c:70]2[c:71]([cH:80]1)[B:72]([OH:79])[O:73][C:74]2([CH2:75][F:76])[CH2:77][F:78].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Cl:1][c:2]1[cH:3][c:4]([C:10]2([C:27]([F:28])([F:29])[F:30])[CH2:11][C:12]([c:15]3[n:16]4[cH:17][cH:18][cH:19][c:20]4[c:21]([C:24](=[O:25])[NH:65][CH2:66][c:67]4[cH:68][cH:69][c:70]5[c:71]([cH:80]4)[B:72]([OH:79])[O:73][C:74]5([CH2:75][F:76])[CH2:77][F:78])[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 86685476HCID 86685476, compoundHCID 866855245-(5-(3,4,5-Trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid

Product 1

HCID 71575781N-((3,3-bis(fluoromethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)methyl)-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxamide

Sources & evidence

ORD record
ord-467b46b47a25433c9e6d5f7d92852343
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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