2-Amino-5-chlorobenzoic acid → 2-[2-(Azidomethyl)-4-chlorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid
反応式
[Cl:1][c:2]1[cH:3][c:4]([C:9]([OH:10])=[O:11])[c:5]([NH2:6])[cH:7][cH:8]1.[F:12][C:13]([c:14]1[n:15][n:16](-[c:22]2[c:23]([CH2:30][N:31]=[N+:32]=[N-:33])[cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[c:17]([C:19](=[O:20])[OH:21])[cH:18]1)([F:34])[F:35].[F:36][c:37]1[cH:38][c:39](-[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[S:46]([CH3:47])(=[O:48])=[O:49])[cH:50][cH:51][c:52]1[NH2:53]>>[Cl:1][c:25]1[cH:24][c:23]([CH2:30][N:31]=[N+:32]=[N-:33])[c:22](-[n:16]2[n:15][c:14]([C:13]([F:12])([F:34])[F:35])[cH:18][c:17]2[C:19](=[O:20])[OH:21])[cH:27][cH:26]1参加物
4
出典と根拠
- ORDレコード
- ord-ec5fe89edea441b69f72594abee9ae3c
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI