Methane → 4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide
반응식
[C:39].[CH3:37][OH:38].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16](=[O:17])[N:18]3[CH2:19][CH2:20][N:21]([CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[n:12][cH:13][cH:14]2)[cH:30][cH:31]1.[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[Pd:40]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16](=[O:17])[N:18]3[CH2:19][CH2:20][N:21]([CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[n:12][cH:13][cH:14]2)[cH:30][cH:31]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-1b214a81fdb44ca699674f53f5d24309
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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