HCID 10702137, 화합물 → HCID 68870600, 화합물
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:12]=[CH:13][C:14](=[O:15])[OH:16])[c:9]([CH3:11])[n:10]1.[NH2:17][c:18]1[cH:19][c:20]2[cH:21][c:22]([CH2:27][OH:28])[nH:23][c:24]2[cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:12]=[CH:13][C:14](=[O:16])[NH:17][c:18]2[cH:19][c:20]3[cH:21][c:22]([CH2:27][OH:28])[nH:23][c:24]3[cH:25][cH:26]2)[c:9]([CH3:11])[n:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b636074f698d427dbd18bbd73f1f9f35
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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