Acetic Acid → 1-Acetylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene
반응식
[CH3:15][C:16](=[O:17])[O:18][C:19](=[O:20])[CH3:21].[CH3:22][C:23](=[O:24])[OH:25].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2>>[NH:1]([c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[C:16]([CH3:15])=[O:17]참가 물질
4
출처 및 근거
- ORD 기록
- ord-a4fba96b1776403fb53ffbf6101eea01
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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