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

HRID 1147431Notes

Reaction equation

HRID 1147431 reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[Cl: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][cH:17][cH:18]1.[Cl:20][c:21]1[cH:22][c:23]2[c:24]([CH2:30][CH2:31][NH2:32])[cH:25][nH:26][c:27]2[cH:28][cH:29]1.[ClH:19].[Na+:63].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH-:62].[OH2:64].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][c:7]([C:10](=[O:12])[NH:32][CH2:31][CH2:30][c:24]3[c:23]4[cH:22][c:21]([Cl:20])[cH:29][cH:28][c:27]4[nH:26][cH:25]3)[n:8][o:9]2)[cH:15][cH:16][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 63379723Ethyl 5-(2-chlorobenzyl)-1,2,4-oxadiazole-3-carboxylate

Product 1

HCID 49869047N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(2-chlorobenzyl)-1,2,4-oxadiazole-3-carboxamide

Sources & evidence

ORD record
ord-c92793cd4b2e4902a9e921453f71f30c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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