Ethanol → HCID 12671198, 화합물
반응식
[CH3:26][CH2:27][OH:28].[CH:15]([CH3:16])([CH2:17][CH3:18])[NH2:19].[Cl:1][c:2]1[c:3]([CH2:12][CH2:13][Cl:14])[c:4]([CH3:11])[n:5][c:6]2[n:7]1[n:8][cH:9][n:10]2.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25]>>[c:2]12[c:3]([c:4]([CH3:11])[n:5][c:6]3[n:7]1[n:8][cH:9][n:10]3)[CH2:12][CH2:13][N:19]2[CH:15]([CH3:16])[CH2:17][CH3:18]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6cdf2001573a48c88d43a7f742efae14
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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