Hydrochloric Acid → 5-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)ethyl)indolizine-8-carboxamide

HRID 303273Notes

Reaction equation

HRID 303273 reaction equation
[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[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[F:8].[ClH:64].[NH2:65][CH2:66][CH2:67][c:68]1[cH:69][cH:70][c:71]2[c:72]([cH:79]1)[B:73]([OH:78])[O:74][C:75]2([CH3:76])[CH3:77].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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][CH2:67][c:68]4[cH:69][cH:70][c:71]5[c:72]([cH:79]4)[B:73]([OH:78])[O:74][C:75]5([CH3:76])[CH3:77])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[F:8]

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 866854832,1-Benzoxaborole-6-ethanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-HCID 866855275-(5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid

Product 1

HCID 715758845-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)ethyl)indolizine-8-carboxamide

Sources & evidence

ORD record
ord-77e17625fb47443ea00925ee9bcafa89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…