Ethanol → HCID 178430137, 화합물
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[CH3:43][CH2:44][OH:45].[Cl:17][c:18]1[nH:19][c:20]2[c:21]([n:22]1)[cH:23][c:24]([C:39]([F:40])([F:41])[F:42])[cH:25][c:26]2[NH:27][C:28]([c:29]1[cH:30][c:31]([F:37])[c:32]([F:36])[c:33]([F:35])[cH:34]1)=[O:38].[Cl:1][c:2]1[cH:3][c:4]([CH2:15][OH:16])[cH:5][n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH3:14])[NH:11][CH2:12][CH2:13]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:15][OH:16])[cH:5][n:6][c:7]1[N:8]1[CH2:9][CH:10]([CH3:14])[N:11]([c:18]2[nH:19][c:20]3[c:21]([n:22]2)[cH:23][c:24]([C:39]([F:40])([F:41])[F:42])[cH:25][c:26]3[NH:27][C:28]([c:29]2[cH:30][c:31]([F:37])[c:32]([F:36])[c:33]([F:35])[cH:34]2)=[O:38])[CH2:12][CH2:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-fe1715521ead4a3bb010b9735eb5e773
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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