Toluene → HCID 10149094, 화합물
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[CH3:1][C:2]([O:3][C:5]([CH3:6])=[O:7])=[O:4].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[NH2:15][c:16]1[n:17][c:18]([Cl:25])[c:19]2[nH:20][cH:21][n:22][c:23]2[n:24]1>>[C:5]([CH3:6])(=[O:7])[n:22]1[cH:21][n:20][c:19]2[c:18]([Cl:25])[n:17][c:16]([NH2:15])[n:24][c:23]21참가 물질
5
출처 및 근거
- ORD 기록
- ord-613319d40b63417da017402129b77a87
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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