t-butyl trans-[4-aminocyclohexyl-N-(t-butoxycarbonyl)amino]acetate → tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[[5-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carbonyl]amino]cyclohexyl]amino]acetate
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12](=[NH:13])[c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:19][c:20]([C:22](=[O:23])[OH:24])[o:21]2)[cH:25]1.[NH2:26][CH:27]1[CH2:28][CH2:29][CH:30]([N:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:31][CH2:32]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12](=[NH:13])[c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:19][c:20]([C:22](=[O:24])[NH:26][CH:27]3[CH2:28][CH2:29][CH:30]([N:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:31][CH2:32]3)[o:21]2)[cH:25]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-ec8c38fee52a4357acf0d3d152787c4d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)