Hydrochloric Acid → 1-[4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-3,6-dihydro-1(2H)-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

HRID 1209448Notes

Reaction equation

HRID 1209448 reaction equation
[CH3:24][c:25]1[cH:26][c:27]([C:34]([F:35])([F:36])[F:37])[n:28][n:29]1[CH2:30][C:31](=[O:32])[OH:33].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:66][CH2:67][Cl:68].[ClH:1].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1.[c:2]1([CH:8]2[CH2:9][C:10]([c:13]3[n:14][c:15]([C:18]4=[CH:23][CH2:22][NH:21][CH2:20][CH2:19]4)[s:16][cH:17]3)=[N:11][O:12]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([CH:8]2[CH2:9][C:10]([c:13]3[n:14][c:15]([C:18]4=[CH:23][CH2:22][N:21]([C:31]([CH2:30][n:29]5[c:25]([CH3:24])[cH:26][c:27]([C:34]([F:35])([F:36])[F:37])[n:28]5)=[O:32])[CH2:20][CH2:19]4)[s:16][cH:17]3)=[N:11][O:12]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 5961182-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acidHCID 687428525-Phenyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazole

Product 1

HCID 687450691-[4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-3,6-dihydro-1(2H)-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

Sources & evidence

ORD record
ord-43495461bf5a4bf89b590ad28ee1dd39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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