Tyramine → 4-(3-{2-[2-(4-Hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23]([Cl:27])[n:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[NH2:28][CH2:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([OH:35])[cH:36][cH:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23]([NH:28][CH2:29][CH2:30][c:31]4[cH:32][cH:33][c:34]([OH:35])[cH:36][cH:37]4)[n:24][cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a6d42b809ce1457f99a1a325f106ecdb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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