Ethanol → HCID 57515603, 화합물
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[CH3:35][CH2:36][OH:37].[NH2:1][NH2:2].[NH2:3][c:4]1[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12]2[c:13]1[n:14][c:15]([CH2:23][N:24]1[C:25](=[O:26])[c:27]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[C:33]1=[O:34])[n:16]2[CH2:17][C:18]1([OH:22])[CH2:19][CH2:20][CH2:21]1>>[NH2:3][c:4]1[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12]2[c:13]1[n:14][c:15]([CH2:23][NH2:24])[n:16]2[CH2:17][C:18]1([OH:22])[CH2:19][CH2:20][CH2:21]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-39bd118771214a9c909cf442cd0d8d39
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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