Acetonitrile → HCID 18918610, 화합물

반응식

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([C:12]([CH2:13][Br:14])=[O:15])[CH2:10][CH2:11]1.[CH3:28][C:29]#[N:30].[n:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([C:12]([CH2:13][N:25]2[CH2:24][CH2:23][N:22]([c:19]3[cH:18][cH:17][n:16][cH:21][cH:20]3)[CH2:27][CH2:26]2)=[O:15])[CH2:10][CH2:11]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 705171-(4-Pyridyl)piperazine

HCID 23368650Ethyl 1-(bromoacetyl)piperidine-4-carboxylate

생성물 1

HCID 18918610HCID 18918610, 화합물

출처 및 근거

ORD 기록: ord-61514194a5c34d10a08c7822ab838d4b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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