1,4-Dioxane → 2-Amino-4-trifluoromethyl-5-(2-isopropyl-2H-pyrazol-3-yl)-benzoic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:15])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8]([I:10])[cH:9]1)=[O:16].[CH:17]([CH3:18])([CH3:19])[n:20]1[n:21][cH:22][cH:23][c:24]1[Sn:25]([CH2:26][CH2:27][CH2:28][CH3:29])([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:15])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8](-[c:24]2[n:20]([CH:17]([CH3:18])[CH3:19])[n:21][cH:22][cH:23]2)[cH:9]1)=[O:16]Participants
4
Sources & evidence
- ORD record
- ord-02b662b04db64cf9bbd418376cce7605
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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