Acetonitrile → HCID 178491675, compound

HRID 110461Notes

Reaction equation

HRID 110461 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]1[N:5]([CH3:19])[CH2:6][CH:7]([S:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:8]1.[CH3:20][N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:27][C:28]#[N:29]>>[C:1](=[O:3])([CH:4]1[N:5]([CH3:19])[CH2:6][CH:7]([S:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:8]1)[N:24]1[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 531671-MethylpiperazineHCID 186996654-[(4-Methoxyphenyl)methylsulfanyl]-1-methylpyrrolidine-2-carboxylic acid

Product 1

HCID 178491675HCID 178491675, compound

Sources & evidence

ORD record
ord-37ad07d7d68c45729e6841c7349bbc97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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