Phenylacetylene → HCID 18677777, compound
Reaction equation
[CH2:35]1[CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]([C:23]([F:24])([F:25])[F:26])[cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([Br:22])[cH:20][cH:21]2)[cH:9][cH:10]1.[c:27]1([C:33]#[CH:34])[cH:28][cH:29][cH:30][cH:31][cH:32]1.[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>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]([C:23]([F:24])([F:25])[F:26])[cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([C:34]#[C:33][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:20][cH:21]2)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-1f943a4433e1481097023330086d95e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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