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

HRID 2314017Notes

Reaction equation

HRID 2314017 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[Cl:18][c:19]1[cH:20][c:21]2[c:22]([CH2:28][CH2:29][NH2:30])[cH:23][nH:24][c:25]2[cH:26][cH:27]1.[ClH:17].[Na+:61].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH-:60].[OH2:62].[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.[s:1]1[cH:2][c:3]([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:4][cH:5]1>>[s:1]1[cH:2][c:3]([CH2:6][c:7]2[n:8][c:9]([C:12](=[O:14])[NH:30][CH2:29][CH2:28][c:22]3[c:21]4[cH:20][c:19]([Cl:18])[cH:27][cH:26][c:25]4[nH:24][cH:23]3)[n:10][o:11]2)[cH:4][cH:5]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 63382666Ethyl 5-[(thiophen-3-yl)methyl]-1,2,4-oxadiazole-3-carboxylate

Product 1

HCID 66832029N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(thiophen-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

Sources & evidence

ORD record
ord-50202a550ff84aa5b25f6c827aedac39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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