Methanol → HCID 9841354, 화합물
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[BH3:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]2[c:16]([O:22][CH2:23][C:24]#[N:25])[c:17]([Cl:21])[cH:18][cH:19][c:20]12.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:26][S:27][CH3:28].[CH3:30][OH:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]2[c:16]([O:22][CH2:23][CH2:24][NH2:25])[c:17]([Cl:21])[cH:18][cH:19][c:20]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-915d8e0f775545e7b260066250b7ebb8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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