Sodium Ion → 3-({3-[2-(2,4,6-Trifluorobenzyl)-7-(trifluoromethyl)-2H-indazol-3-YL]phenyl}ethynyl)benzoic acid
反応式
[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:33]([F:34])([F:35])[F:36])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([C:20]#[C:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31][cH:32]3)[cH:17][cH:18][cH:19]2)[c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]1.[Na+:44].[OH-:43]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:33]([F:34])([F:35])[F:36])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([C:20]#[C:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:30][cH:31][cH:32]3)[cH:17][cH:18][cH:19]2)[c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]1参加物
4
出典と根拠
- ORDレコード
- ord-59a7f0280bc84ae1b2a2e77c010c7269
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)