Acetonitrile → 3-(4-bromo-5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)-2-fluorobut-2-enal
Reaction equation
[Br:1][c:2]1[c:3]([O:23][CH:24]([CH3:25])[CH3:26])[c:4]([C:17](=[C:18]([CH2:19][OH:20])[F:21])[CH3:22])[cH:5][c:6]2[c:11]1[C:10]([CH3:12])([CH3:13])[CH2:9][CH:8]=[C:7]2[CH:14]([CH3:15])[CH3:16].[CH3:39][N+:40]1([O-:41])[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[CH3:50][C:51]#[N:52].[Cl:47][CH2:48][Cl:49].[OH:27][CH2:28][CH:29]([CH2:30][NH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[OH:38]>>[Br:1][c:2]1[c:3]([O:23][CH:24]([CH3:25])[CH3:26])[c:4]([C:17](=[C:18]([CH:19]=[O:20])[F:21])[CH3:22])[cH:5][c:6]2[c:11]1[C:10]([CH3:12])([CH3:13])[CH2:9][CH:8]=[C:7]2[CH:14]([CH3:15])[CH3:16]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3f51bd1bbaaa4f08b10b3440339834b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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