Ethanol → HCID 76550583, 화합물
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[CH3:28][CH2:29][OH:30].[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:10]23[N:11]=[C:12]([NH:19][C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)=[O:27])[S:13][CH2:14][CH:15]2[CH2:16][O:17][CH2:18]3)[cH:7][cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][c:6]([C:10]23[N:11]=[C:12]([NH:19][C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)=[O:27])[S:13][CH2:14][CH:15]2[CH2:16][O:17][CH2:18]3)[cH:7][cH:8][cH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-41fabd109e6143e0a3fa4b3939a3f29c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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