Acetonitrile → N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide

HRID 1133300Notes

Reaction equation

HRID 1133300 reaction equation
[CH2:34]1[CH2:35][O:36][CH2:37][CH2:38][NH:39]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][c:9]1[n:10][o:11][n:12][c:13]1[C:14](=[O:15])[NH:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([F:23])[cH:21][cH:22]1)(=[O:4])=[O:5].[CH3:40][C:41]#[N:42].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33]>>[CH2:6]([CH2:7][CH2:8][c:9]1[n:10][o:11][n:12][c:13]1[C:14](=[O:15])[NH:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([F:23])[cH:21][cH:22]1)[N:39]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8083MorpholineHCID 81531DiisopropylethylamineHCID 589417693-(4-[(3-Chloro-4-fluorophenyl)amino]carbonyl-1,2,5-oxadiazol-3-yl)propyl methanesulfonate

Product 1

HCID 58941763N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide

Sources & evidence

ORD record
ord-8b59eca5092a4e378e8a3154d604619c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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