Tert-butyl 2-(methoxymethyl)piperazine-1-carboxylate → HCID 178494583, 화합물
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[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH:40]([CH2:45][O:46][CH3:47])[CH2:41][NH:42][CH2:43][CH2:44]1.[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1>>[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([N:42]5[CH2:41][CH:40]([CH2:45][O:46][CH3:47])[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:44][CH2:43]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a31d2017455b46aca072239bb9c44883
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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