Acetonitrile → HCID 178491675, 화합물

반응식

[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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 531671-Methylpiperazine

HCID 186996654-[(4-Methoxyphenyl)methylsulfanyl]-1-methylpyrrolidine-2-carboxylic acid

생성물 1

HCID 178491675HCID 178491675, 화합물

출처 및 근거

ORD 기록: ord-37ad07d7d68c45729e6841c7349bbc97
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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