Acetonitrile → N-[3-(2-carboxybutyl)-2,4,6-triiodophenyl]-1,4,7,10-tetraazacyclododecane-1-acetamide
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[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][NH:12]1.[CH3:34][C:35]#[N:36].[Cl:13][CH2:14][C:15](=[O:16])[NH:17][c:18]1[c:19]([I:33])[c:20]([CH2:26][CH:27]([C:28](=[O:29])[OH:30])[CH2:31][CH3:32])[c:21]([I:25])[cH:22][c:23]1[I:24]>>[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][N:12]1[CH2:14][C:15](=[O:16])[NH:17][c:18]1[c:19]([I:33])[c:20]([CH2:26][CH:27]([C:28](=[O:29])[OH:30])[CH2:31][CH3:32])[c:21]([I:25])[cH:22][c:23]1[I:24]참가 물질
4
출처 및 근거
- ORD 기록
- ord-80bbab5271fb416f9205bf301762891f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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