Hydrogen Peroxide → 4-{[4-(Pent-1-en-1-yl)phenyl]ethynyl}benzonitrile
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([Br:17])[cH:15][cH:16]2)[cH:7][cH:8]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:18][N:19]1[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[K+:29].[K+:30].[Na+:32].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:31].[OH:33][OH:34].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([CH:20]=[CH:21][CH2:22][CH2:23][CH3:24])[cH:15][cH:16]2)[cH:7][cH:8]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-0459931d7697468d8a3bf10af0af64cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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