Benzene → 5-Chloro-1,1-diethoxy-4-pentene-2-yne
Reaction equation
[CH2:10]([CH3:11])[O:12][CH:13]([C:14]#[CH:15])[O:16][CH2:17][CH3:18].[CH2:5]([NH2:6])[CH2:7][CH2:8][CH3:9].[Cl:1][CH:2]=[CH:3][Cl:4].[Cu:25]([I:26])[I:27].[Pd:104].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1.[cH:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[Cl:1][CH:2]=[CH:3][C:15]#[C:14][CH:13]([O:12][CH2:10][CH3:11])[O:16][CH2:17][CH3:18]Participants
8
Sources & evidence
- ORD record
- ord-6404d8e3284c4b1ab5900093311b56ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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