3-(4-Fluorophenyl)-2-propenoic acid → 1-[1-(4-Cyanophenyl)-4-(4-fluorophenyl)-2-oxobutyl]-1,2,4-triazole

HRID 688920

반응식

HRID 688920 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1.[CH3:15][CH2:16][CH2:17][CH2:18][Li:19].[F:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:25][cH:26]1.[F:34][c:35]1[cH:36][cH:37][c:38]([CH:39]=[CH:40][C:41]([OH:42])=[O:43])[cH:44][cH:45]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]([n:8]2[n:9][cH:10][n:11][cH:12]2)[C:29]([CH2:28][CH2:27][c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:30])[cH:13][cH:14]1

참가 물질

5

출처 및 근거

ORD 기록
ord-58315780f7d7477290faf66ee16f75dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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