Hydrochloric Acid → N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(4-fluoro-2-(trifluoromethyl)benzyl)-1,2,4-oxadiazole-3-carboxamide

HRID 1202693Notes

Reaction equation

HRID 1202693 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[Cl:24][c:25]1[cH:26][c:27]2[c:28]([CH2:34][CH2:35][NH2:36])[cH:29][nH:30][c:31]2[cH:32][cH:33]1.[ClH:23].[F:1][c:2]1[cH:3][c:4]([C:19]([F:20])([F:21])[F:22])[c:5]([CH2:6][c:7]2[n:8][c:9]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[n:10][o:11]2)[cH:17][cH:18]1.[Na+:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH-:66].[OH2:68].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[F:1][c:2]1[cH:3][c:4]([C:19]([F:20])([F:21])[F:22])[c:5]([CH2:6][c:7]2[n:8][c:9]([C:12](=[O:14])[NH:36][CH2:35][CH2:34][c:28]3[c:27]4[cH:26][c:25]([Cl:24])[cH:33][cH:32][c:31]4[nH:30][cH:29]3)[n:10][o:11]2)[cH:17][cH:18]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 773795-ChlorotryptamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66831832Ethyl 5-(4-fluoro-2-(trifluoromethyl)benzyl)-1,2,4-oxadiazole-3-carboxylate

Product 1

HCID 66831866N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(4-fluoro-2-(trifluoromethyl)benzyl)-1,2,4-oxadiazole-3-carboxamide

Sources & evidence

ORD record
ord-5fd6259690144b49ad0201665b5ca645
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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