4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-N-(thiazol-2-yl)-benzamide → N-[2-(4-Methylpiperazin-1-ylmethyl)phenyl]-6-[2-methyl-5-(thiazol-2-ylcarbamoyl)-phenyl]-nicotinamide
반응식
[CH3:25][c:26]1[c:27]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]2[s:34][cH:35][cH:36][n:37]2)[cH:38][cH:39]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:23][cH:24]1>>[c:2]1(-[c:27]2[c:26]([CH3:25])[cH:39][cH:38][c:29]([C:30](=[O:31])[NH:32][c:33]3[s:34][cH:35][cH:36][n:37]3)[cH:28]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:23][cH:24]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-4999609ba2334cefaf9aef2d236305e5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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