HCID 77692210, 화합물 → HCID 68417816, 화합물
반응식
[C:32]([CH2:33][NH:34][CH2:35][c:36]1[cH:37][c:38](-[c:39]2[cH:40][cH:41][c:42]([CH2:43][CH:44]([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[C:53]([O:54][CH3:55])=[O:56])[cH:57][cH:58]2)[cH:59][cH:60][cH:61]1)(=[O:62])[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([CH2:21][NH:22][CH2:23][C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:18][cH:19][cH:20]2)[cH:13][cH:14]1>>[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([CH2:21][NH:22][CH2:23][C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:18][cH:19][cH:20]2)[cH:13][cH:14]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-aba0b28e93a5409bb5f12d093ec30d28
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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