3-ethynyl-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide → 3-{[5-(2-amino-2-oxoethyl)pyrazin-2-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
반응식
[Br:1][c:2]1[n:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH2:11])[n:6][cH:7]1.[C:12](#[CH:13])[c:14]1[cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([C:34]([F:35])([F:36])[F:37])[c:23]([CH2:26][N:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[cH:24][cH:25]2)[cH:38][cH:39][c:40]1[CH3:41]>>[c:2]1([C:13]#[C:12][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:19][c:20]3[cH:21][c:22]([C:34]([F:35])([F:36])[F:37])[c:23]([CH2:26][N:27]4[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]4)[cH:24][cH:25]3)[cH:38][cH:39][c:40]2[CH3:41])[n:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH2:11])[n:6][cH:7]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-7985b09d58ea466b977632643d85cdef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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