HCID 12381618, 화합물 → HCID 13579649, 화합물
반응식
[CH3:17][O:18][c:19]1[cH:20][c:21]2[c:22]([cH:33][c:34]1[O:35][CH3:36])[CH2:23][C:24](=[O:32])[N:25]([CH2:28][CH2:29][CH2:30][Cl:31])[CH2:26][CH2:27]2.[CH3:1][NH:2][CH:3]1[CH2:4][c:5]2[cH:6][c:7]([O:15][CH3:16])[c:8]([O:13][CH3:14])[cH:9][c:10]2[CH2:11][CH2:12]1>>[CH3:1][N:2]([CH:3]1[CH2:4][c:5]2[cH:6][c:7]([O:15][CH3:16])[c:8]([O:13][CH3:14])[cH:9][c:10]2[CH2:11][CH2:12]1)[CH2:30][CH2:29][CH2:28][N:25]1[C:24](=[O:32])[CH2:23][c:22]2[c:21]([cH:20][c:19]([O:18][CH3:17])[c:34]([O:35][CH3:36])[cH:33]2)[CH2:27][CH2:26]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-2566226ffcab483fbcaf96cb8a1a7df9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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