tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate → 4-{5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-2-hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
反応式
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]([CH2:46][OH:47])[CH2:42][NH:43][CH2:44][CH2:45]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][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[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][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([N:43]5[CH2:42][CH:41]([CH2:46][OH:47])[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-54e1b1f92aad47ad829e8dbee3dea63b
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
- DOI