Methanol → HCID 60046926, 화합물
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[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH3:28][OH:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[c:7]([N+:12]([O-:13])=[O:14])[cH:8][n:9][c:10]2[cH:11]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[c:7]([NH2:12])[cH:8][n:9][c:10]2[cH:11]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-d6a0cc3b695f494e8ac9683e179bec26
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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