Water → tert-butyl 3-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-propylamino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
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[C:48](=[O:49])([O-:50])[O-:51].[CH3:37][S:38]([O:39][CH2:42][CH2:43][CH2:44][CH2:45][O:46][CH3:47])(=[O:40])=[O:41].[Cs+:52].[Cs+:53].[OH2:54].[nH:1]1[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH2:35][CH3:36])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:42][CH2:43][CH2:44][CH2:45][O:46][CH3:47])[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH2:35][CH3:36])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-df90646b3a8d4ce9aebaf5c935f15a52
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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