1,2-Dichloroethane → N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methyl-2-pyridinyl)-5-(2-methylpyrimidin-5-yl)benzamide

HRID 307365Notes

Reaction equation

HRID 307365 reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:27][c:28]1[n:29][o:30][c:31]([CH:33]([CH3:34])[NH2:35])[n:32]1.[CH3:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH3:25])[n:23][cH:24]3)[cH:18]2)[n:8][cH:9]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl-:2].[ClH:26].[Na+:1].[OH2:69].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1.[OH:57][C:58]([C:59]([F:60])([F:61])[F:62])=[O:63]>>[CH3:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:35][CH:33]([c:31]3[o:30][n:29][c:28]([CH3:27])[n:32]3)[CH3:34])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH3:25])[n:23][cH:24]3)[cH:18]2)[n:8][cH:9]1

Participants

12

Reactant 11

HCID 111,2-DichloroethaneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 431068281-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamineHCID 684984603-(5-Methylpyridin-2-yl)-5-(2-methylpyrimidin-5-yl)benzoic acid

Product 1

HCID 74817128N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(5-methyl-2-pyridinyl)-5-(2-methylpyrimidin-5-yl)benzamide

Sources & evidence

ORD record
ord-24208d262ec5406ca8389bc5baf4de00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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