Triethylamine → Ethyl 4-[(2,2,4,4,7-pentamethylchroman-6-yl)-ethynyl]benzoate
Reaction equation
[CH2:18]([CH3:19])[O:20][C:21]([c:22]1[cH:23][cH:24][c:25]([I:28])[cH:26][cH:27]1)=[O:29].[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][c:6]([CH3:16])[c:7]([C:14]#[CH:15])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[I-:30].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH3:1][C:2]1([CH3:17])[O:3][c:4]2[cH:5][c:6]([CH3:16])[c:7]([C:14]#[C:15][c:25]3[cH:24][cH:23][c:22]([C:21]([O:20][CH2:18][CH3:19])=[O:29])[cH:27][cH:26]3)[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1Participants
7
Sources & evidence
- ORD record
- ord-5e6f49c427c54443ac6391d95cd8421a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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