2-Butenedioic acid → HCID 21839358, 화합물
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[CH3:1][n:2]1[c:3](=[O:21])[n:4]([CH2:15][CH2:16][CH2:17][C:18]([CH3:19])=[O:20])[c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12.[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([CH2:29][C:30]#[CH:31])[CH2:27][CH2:28]1.[OH:32][C:33]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])=[O:39]>>[CH3:1][n:2]1[c:3](=[O:21])[n:4]([CH2:15][CH2:16][CH2:17][C:18]([CH3:19])([OH:20])[C:31]#[C:30][CH2:29][N:26]2[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]2)[c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-2042329b8e214190815ac74f84c0ffa7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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