Ethanol → HCID 73446797, 화합물
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[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:47][CH2:48][OH:49].[CH:1]([CH3:2])([CH3:3])[C:4]1=[CH:9][C:8](=[C:10]([C:11]#[N:12])[C:13]#[N:14])[CH:7]=[C:6]([CH3:15])[O:5]1.[c:16]1([C:22]2=[N:23][N:24]([c:33]3[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]3)[CH:25]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:26]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH:1]([CH3:2])([CH3:3])[C:4]1=[CH:9][C:8](=[C:10]([C:11]#[N:12])[C:13]#[N:14])[CH:7]=[C:6]([CH:15]=[CH:37][c:36]2[cH:35][cH:34][c:33]([N:24]3[N:23]=[C:22]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[CH2:26][CH:25]3[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:40][cH:39]2)[O:5]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-3aa35227168946f8bc77c5978a4df175
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)