Hydrochloric Acid → Cis-4-Chloro-N-(4-hydroxycyclohexyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide

HRID 1126360Notes

Reaction equation

HRID 1126360 reaction equation
[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][C:61]#[N:62].[Cl:1][c:2]1[c:3]([C:17](=[O:18])[OH:19])[n:4][o:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[ClH:44].[NH2:45][CH:46]1[CH2:47][CH2:48][CH:49]([OH:52])[CH2:50][CH2:51]1.[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[c:3]([C:17](=[O:19])[NH:45][CH:46]2[CH2:47][CH2:48][CH:49]([OH:52])[CH2:50][CH2:51]2)[n:4][o:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 812934-AminocyclohexanolHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 671210774-Chloro-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxylic acid

Product 1

HCID 25182169Cis-4-Chloro-N-(4-hydroxycyclohexyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide

Sources & evidence

ORD record
ord-eda4690160144905a2be62a319a57398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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