Water → HCID 20342246, 화합물
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[K:20][C:21]#[N:22].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:23].[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([CH:12]=[O:13])[CH2:11]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([CH:12]([OH:13])[C:21]#[N:22])[CH2:11]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-a04ee8ffc567405d981a32efbf64c945
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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