2-(2,2-Dimethyl-propoxy)-5-methanesulfonyl-benzoic acid → 2-{4-[2-(2,2-Dimethyl-propoxy)-5-methanesulfonyl-benzoyl]-piperazin-1-yl}-thiazole-5-carbonitrile
반응식
[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1)([CH3:18])[CH3:19].[N:20]1([c:26]2[s:27][c:28]([C:31]#[N:32])[cH:29][n:30]2)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1>>[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([C:7](=[O:9])[N:23]2[CH2:22][CH2:21][N:20]([c:26]3[s:27][c:28]([C:31]#[N:32])[cH:29][n:30]3)[CH2:25][CH2:24]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1)([CH3:18])[CH3:19]참가 물질
3
출처 및 근거
- ORD 기록
- ord-884e1d8a199b4bc3bc209335f8821293
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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