Ethanol → HCID 135493470, 화합물
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[CH2:27]([OH:28])[CH3:29].[CH3:22][N:23]([CH3:24])[CH:26]=[O:25].[NH2:1][c:2]1[n:3][c:4]([CH2:12][O:13][c:14]2[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]2)[n:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]12.[Na+:31].[OH-:30]>>[c:2]1(=[O:25])[nH:3][c:4]([CH2:12][O:13][c:14]2[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]2)[n:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-1792789e25ad46b2a6c411d57205a0f8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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