Diethyl Ether → (3,4-Difluoro-phenyl)-propynoic acid ethyl ester
Reaction equation
[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[CH2:30]([O:31][CH2:32][CH3:33])[CH3:34].[CH2:9]([CH3:10])[O:11][C:12]([C:13]#[CH:14])=[O:15].[CH3:2][CH:3]([N-:4][CH:5]([CH3:6])[CH3:7])[CH3:8].[F:16][c:17]1[c:18]([F:24])[cH:19][c:20]([I:23])[cH:21][cH:22]1.[Li+:1].[Pd:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH2:9]([CH3:10])[O:11][C:12]([C:13]#[C:14][c:20]1[cH:19][c:18]([F:24])[c:17]([F:16])[cH:22][cH:21]1)=[O:15]Participants
9
Sources & evidence
- ORD record
- ord-a11ee84f8e8740b0b8e14127c66517b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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