Acetonitrile → HCID 178498043, compound

HRID 1127979Notes

Reaction equation

HRID 1127979 reaction equation
[CH3:21][O:22][C:23]([c:24]1[c:25]([Cl:31])[n:26][cH:27][c:28]([Cl:30])[cH:29]1)=[O:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[NH2:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[c:25]1[c:24]([C:23]([O:22][CH3:21])=[O:32])[cH:29][c:28]([Cl:30])[cH:27][n:26]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 2764318Methyl 2,5-DichloronicotinateHCID 219733962-Amino-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Product 1

HCID 178498043HCID 178498043, compound

Sources & evidence

ORD record
ord-d23eb71fa183486dae17f7572a012009
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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