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

HRID 2147748Notes

Reaction equation

HRID 2147748 reaction equation
[CH3:71][C:72]#[N:73].[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:55].[ClH:70].[NH2:56][CH2:57][c:58]1[cH:59][c:60]2[c:61]([cH:68][cH:69]1)[B:62]([OH:67])[O:63][C:64]2([CH3:65])[CH3:66].[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:56][CH2:57][c:58]4[cH:59][c:60]5[c:61]([cH:68][cH:69]4)[B:62]([OH:67])[O:63][C:64]5([CH3:65])[CH3:66])[cH:22][cH:23]3)=[N:13][O:14]2)[cH:5][c:6]([Cl:9])[c:7]1[Cl:8]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86685452HCID 86685452, compoundHCID 866855245-(5-(3,4,5-Trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxylic acid

Product 1

HCID 71576471N-((1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methyl)-5-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)indolizine-8-carboxamide

Sources & evidence

ORD record
ord-3681d670509641e6a26189a6164b9473
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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