Ethanol → HCID 67152512, 화합물
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[Br:1][c:2]1[cH:3][c:4]([CH3:22])[c:5](-[n:9]2[c:10]([CH3:21])[c:11]([CH3:20])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[n:16][c:17]3[Cl:18])[c:6]([CH3:8])[cH:7]1.[CH3:42][CH2:43][OH:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[NH:23]1[CH2:24][CH2:25][CH:26]([CH2:29][CH2:30][C:31]#[N:32])[CH2:27][CH2:28]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:22])[c:5](-[n:9]2[c:10]([CH3:21])[c:11]([CH3:20])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[n:16][c:17]3[N:23]2[CH2:24][CH2:25][CH:26]([CH2:29][CH2:30][C:31]#[N:32])[CH2:27][CH2:28]2)[c:6]([CH3:8])[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-f8d4a473b18d4494ae4a7ff492aaad32
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)