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

HRID 1135392Notes

Reaction equation

HRID 1135392 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[Cl:21][c:22]1[cH:23][c:24]2[c:25]([CH2:31][CH2:32][NH2:33])[cH:26][nH:27][c:28]2[cH:29][cH:30]1.[ClH:20].[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][c:7]([C:10]([O:12][CH2:11][CH3:13])=[O:14])[n:8][o:9]2)[cH:15][cH:16][c:17]([F:19])[cH:18]1.[Na+:64].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH-:63].[OH2:65].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][c:7]([C:10](=[O:12])[NH:33][CH2:32][CH2:31][c:25]3[c:24]4[cH:23][c:22]([Cl:21])[cH:30][cH:29][c:28]4[nH:27][cH:26]3)[n:8][o:9]2)[cH:15][cH:16][c:17]([F:19])[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 66831972Ethyl 5-(2,4-difluorobenzyl)-1,2,4-oxadiazole-3-carboxylate

Product 1

HCID 66832044N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(2,4-difluorobenzyl)-1,2,4-oxadiazole-3-carboxamide

Sources & evidence

ORD record
ord-43af3b5ae2d1453ab695cbe8a1cb394c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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