3-Pyridineacetic acid → N-{4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-N-methyl-2-pyridin-3-yl-acetamide
반응식
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH:11]1([CH2:14][n:15]2[c:16](=[O:42])[n:17]([CH2:34][c:35]3[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]3)[c:18](=[O:33])[c:19]3[nH:20][c:21]([CH2:24][c:25]4[cH:26][cH:27][c:28]([NH:31][CH3:32])[cH:29][cH:30]4)[n:22][c:23]23)[CH2:12][CH2:13]1.[n:1]1[cH:2][c:3]([CH2:7][C:8](=[O:9])[OH:10])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][C:8](=[O:10])[N:31]([c:28]2[cH:27][cH:26][c:25]([CH2:24][c:21]3[nH:20][c:19]4[c:18](=[O:33])[n:17]([CH2:34][c:35]5[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]5)[c:16](=[O:42])[n:15]([CH2:14][CH:11]5[CH2:12][CH2:13]5)[c:23]4[n:22]3)[cH:30][cH:29]2)[CH3:32])[cH:4][cH:5][cH:6]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-8257f8c9c581407dba9494d37c5412b7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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