Acetic Acid → HCID 44129296, 화합물
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[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:34][cH:35]3)[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:24][CH2:25]4)[n:15][o:16]2)[cH:5][n:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:37].[OH-:36]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:34][cH:35]3)[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:24][CH2:25]4)[n:15][o:16]2)[cH:5][n:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]참가 물질
6
출처 및 근거
- ORD 기록
- ord-d34ad2932f6343f38f2ab1dff2f59092
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)