4-Pyridinecarboxaldehyde → 2-(1-Methoxyiminoindan-5-yl)-4-(2-methylsulfanylpyrimidin-5-yl)-1-pyridin-4-ylbutane-1,4-dione

반응식

[CH3:1][O:2][N:3]=[C:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH:13]=[CH:14][C:15](=[O:16])[c:17]3[cH:18][n:19][c:20]([S:23][CH3:24])[n:21][cH:22]3)[cH:10][cH:11][c:12]21.[n:25]1[cH:26][cH:27][c:28]([CH:31]=[O:32])[cH:29][cH:30]1>>[CH3:1][O:2][N:3]=[C:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH:13]([CH2:14][C:15](=[O:16])[c:17]3[cH:18][n:19][c:20]([S:23][CH3:24])[n:21][cH:22]3)[C:31]([c:28]3[cH:27][cH:26][n:25][cH:30][cH:29]3)=[O:32])[cH:10][cH:11][c:12]21

참가 물질

반응물 2

HCID 133894-Pyridinecarboxaldehyde

HCID 1731689123-(1-Methoxyimino-2,3-dihydroinden-5-yl)-1-(2-methylsulfanylpyrimidin-5-yl)prop-2-en-1-one

생성물 1

HCID 865954152-(1-Methoxyiminoindan-5-yl)-4-(2-methylsulfanylpyrimidin-5-yl)-1-pyridin-4-ylbutane-1,4-dione

출처 및 근거

ORD 기록: ord-305952199ad149cda3a00034f50da611
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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