Hydrochloric Acid → 8-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-((1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)methyl)indolizine-5-carboxamide
Reaction equation
[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:23](=[O:24])[OH:25])[n:18]4[cH:19][cH:20][cH:21][c:22]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[ClH:61].[NH2:62][CH2:63][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-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:26]([F:27])([F:28])[F:29])[CH2:10][C:11]([c:14]3[cH:15][cH:16][c:17]([C:23](=[O:25])[NH:62][CH2:63][c:64]4[cH:65][cH:66][c:67]5[c:68]([cH:75]4)[B:69]([OH:74])[O:70][C:71]5([CH3:72])[CH3:73])[n:18]4[cH:19][cH:20][cH:21][c:22]34)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1Participants
8
Reactant 7
HCID 313Hydrochloric Acid
HCID 6228Dimethylformamide
HCID 8471Triethylamine
HCID 9886Hexafluorophosphate
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 866854586-(Aminomethyl)-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol
HCID 866855228-[5-(Trifluoromethyl)-5-(3,5-dichlorophenyl)-2-isoxazoline-3-yl]indolizine-5-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-c5a11a88c019414dac4dcf6372e68edb
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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