Methane → HCID 19862550, 화합물
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[C:30].[CH3:28][OH:29].[ClH:24].[H:26][H:27].[OH2:25].[OH:1][c:2]1[c:3]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:4][c:5]([CH:6]=[N:7][n:8]2[cH:9][n:10][c:11]([CH3:13])[cH:12]2)[cH:14][c:15]1[C:16]([CH3:17])([CH3:18])[CH3:19].[Pd:31]>>[OH:1][c:2]1[c:3]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:4][c:5]([CH2:6][NH:7][n:8]2[cH:9][n:10][c:11]([CH3:13])[cH:12]2)[cH:14][c:15]1[C:16]([CH3:17])([CH3:18])[CH3:19]참가 물질
8
출처 및 근거
- ORD 기록
- ord-469cb79f41f64af596f9c37445e871c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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