tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate → [3-({5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-methyl-amino)-2-hydroxy-propyl]-methyl-carbamic acid tert-butyl ester
반응식
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([N:39]([CH3:40])[CH2:41][CH:42]([CH2:43][NH:44][CH3:45])[OH:46])=[O:47].[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:26])[NH:19][CH:20]([S:22][CH2:23][CH2:24][CH3:25])[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:26])[N:19]=[C:20]([N:44]([CH2:43][CH:42]([CH2:41][N:39]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:47])[CH3:40])[OH:46])[CH3:45])[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-967a9d120a7b4a4b98412f0ac11245a7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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