8-Methyl-3,8-diazabicyclo[3.2.1]octane → 5-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(8-methyl-3,8-diaza-bicyclo[3.2.1]oct-3-yl)-thiazol-4-one
반응식
[CH3:34][N:35]1[CH:36]2[CH2:37][NH:38][CH2:39][CH:40]1[CH2:41][CH2:42]2.[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:23])[N:18]=[C:19]([S:21][CH3:22])[S:20]4)[cH:12][cH:13][c:14]23)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]>>[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:23])[N:18]=[C:19]([N:38]5[CH2:37][CH:36]6[N:35]([CH3:34])[CH:40]([CH2:39]5)[CH2:41][CH2:42]6)[S:20]4)[cH:12][cH:13][c:14]23)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-7600fcc5f3d64365a819e0fd8ac342cc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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