Acetonitrile → methyl 5-amino-4-[7-[[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

HRID 110835

반응식

HRID 110835 반응식
[CH2:31]([CH3:32])[CH:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:39][C:40]#[N:41].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Br:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:36]4[CH2:35][CH2:34][CH:33]([CH2:31][CH3:32])[CH2:38][CH2:37]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 767044-EthylpiperidineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

생성물 1

HCID 67334849methyl 5-amino-4-[7-[[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

출처 및 근거

ORD 기록
ord-97b3abf5fb594729a40b249c3733c77e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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