Ethanol → HCID 12019646, 화합물
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[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)[c:12]1[cH:13][c:14]([Cl:24])[c:15](-[n:18]2[n:19][n:20][n:21][c:22]2[CH3:23])[cH:16][cH:17]1)=[O:25].[CH3:28][CH2:29][OH:30].[Na+:27].[OH-:26]>>[O:2]=[C:3]([CH:4]([CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)[c:12]1[cH:13][c:14]([Cl:24])[c:15](-[n:18]2[n:19][n:20][n:21][c:22]2[CH3:23])[cH:16][cH:17]1)[OH:25]참가 물질
5
출처 및 근거
- ORD 기록
- ord-87fde630b0d74cca9e3f3c53a0a8941a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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