Hexane → 2-Fluoro-4(2,2,4,4-tetramethyl-chroman-6yl-ethynyl)-benzoic acid methyl ester
Reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[O:9][C:8]([CH3:13])([CH3:14])[CH2:7][C:6]2([CH3:15])[CH3:16].[CH2:29]([N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH3:17][O:18][C:19]([c:20]1[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]1)=[O:28].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[C:1](#[C:2][c:23]1[cH:22][c:21]([F:27])[c:20]([C:19]([O:18][CH3:17])=[O:28])[cH:25][cH:24]1)[c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[O:9][C:8]([CH3:13])([CH3:14])[CH2:7][C:6]2([CH3:15])[CH3:16]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1f14db75c50841f5a830babf65df0561
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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