Acetic Acid → 4-(4-Aminobenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
반응식
[CH3:22][C:23](=[O:24])[OH:25].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([s:17][cH:18][cH:19]3)[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:20][cH:21]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([s:17][cH:18][cH:19]3)[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:20][cH:21]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e5ffe2deb8a24d029e1ce1d7dd5b0d67
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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