Acetonitrile → HCID 178496030, 화합물
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[CH3:1][O:2][CH2:3][CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][C:12](=[O:13])[CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[CH:21]([CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]=[CH2:32].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[I:33][c:34]1[cH:35][c:36]([CH3:46])[c:37](-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:38][cH:39]1>>[CH3:1][O:2][CH2:3][CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][C:12](=[O:13])[CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[CH:21]([CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]=[CH:32][c:34]1[cH:35][c:36]([CH3:46])[c:37](-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:38][cH:39]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8d605f99aba54d2fa6a02429c4ac2095
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)