Toluene → HCID 22132714, 화합물
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[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:23][c:24]1[c:25]([O:33][CH3:34])[c:26]([N:30]=[C:31]=[O:32])[cH:27][cH:28][cH:29]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:22][C:31]([NH:30][c:26]4[c:25]([O:33][CH3:34])[c:24]([Cl:23])[cH:29][cH:28][cH:27]4)=[O:32])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]참가 물질
4
출처 및 근거
- ORD 기록
- ord-984cdf3e792f4c2b9efe28507f858a42
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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