HCID 178453530, 화합물 → 4-(Dimethylcarbamoyl)benzoic acid
반응식
[C:1]([O:5][C:2]([NH:3][CH:4]([CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1)[C:17]([O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26])=[O:27])([CH3:28])([CH3:29])[CH3:30].[CH3:31][N:32]([C:33](=[O:34])[c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[NH:41][CH:42]([CH2:43][CH2:44][O:45][c:46]2[cH:47][cH:48][cH:49][c:50]([C:51]#[N:52])[cH:53]2)[C:54]([O:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)=[O:63])[cH:64][cH:65]1)[CH3:66]>>[O:5]=[C:39]([c:38]1[cH:37][cH:36][c:35]([C:33]([N:32]([CH3:31])[CH3:66])=[O:34])[cH:65][cH:64]1)[OH:40]참가 물질
3
출처 및 근거
- ORD 기록
- ord-ddd9eedec5674f2285689be6590581f7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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