4-Methylamino-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester → 4-({5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-methyl-amino)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
反応式
[CH3:32][O:33][C:34](=[O:35])[CH:36]1[N:37]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:38][CH:39]([NH:41][CH3:42])[CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[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:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1>>[Cl:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[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:25])[N:19]=[C:20]([N:41]([CH:39]5[CH2:38][N:37]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH:36]([C:34]([O:33][CH3:32])=[O:35])[CH2:40]5)[CH3:42])[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-0b883943a57544a2a5082036d544add2
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)