Acetone → 1-(4-Fluorophenyl)-4-(3-methylpiperazin-1-yl)phthalazine
반응식
[CH3:1][OH:2].[CH3:39][C:40]([CH3:41])=[O:42].[CH3:3][C:4](=[O:5])[Cl:6].[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16][c:17]([N:24]3[CH2:25][CH:26]([CH3:37])[N:27]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28][CH2:29]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:12][cH:13]1.[OH2:38]>>[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16][c:17]([N:24]3[CH2:25][CH:26]([CH3:37])[NH:27][CH2:28][CH2:29]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[cH:12][cH:13]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-15db86f4149f47c884da1a0524472248
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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