Hexane → 1-Methylethyl 3-[2-(trimethylsilyl)ethynyl]benzoate
Reaction equation
[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[CH3:20].[CH3:21][Si:22]([CH3:23])([CH3:24])[C:25]#[CH:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([Br:12])[cH:9][cH:10][cH:11]1)=[O:13].[Cu:39][I:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:26]#[C:25][Si:22]([CH3:21])([CH3:23])[CH3:24])[cH:9][cH:10][cH:11]1)=[O:13]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-1a05d0fc64c3456780cbc5db79df403f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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