1-(Bromomethyl)-4-(trifluoromethyl)benzene → 6-Benzyl-2-(3-nitrophenyl)-4-{[4-(trifluoromethyl)benzyl]oxy}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([n:12][c:13](-[c:17]3[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]3)[n:14][c:15]2[OH:16])[CH2:26][CH2:27]1.[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([CH2:34][Br:35])[cH:36][cH:37]1)([F:38])[F:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([n:12][c:13](-[c:17]3[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]3)[n:14][c:15]2[O:16][CH2:34][c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:38])[F:39])[cH:37][cH:36]2)[CH2:26][CH2:27]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-7c0248f006004aff9d6176475e68a03d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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