Toluene → HCID 54209885, compound
Reaction equation
[C:17]([C:18]#[CH:19])(=[O:20])[O:21][CH3:22].[CH2:23]([SnH:24]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH3:35].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:36][c:37]1[cH:38][cH:39][c:40]2[c:41]([nH:42][c:43](=[O:51])[c:44]([O:49][CH3:50])[c:45]([I:48])[c:46]2=[O:47])[cH:52]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:60].[Pd:61].[o:1]1[cH:2][cH:3][cH:4][c:5]1[P:6]([c:7]1[o:8][cH:9][cH:10][cH:11]1)[c:12]1[o:13][cH:14][cH:15][cH:16]1>>[C:17]([CH:18]=[CH:19][c:45]1[c:44]([O:49][CH3:50])[c:43](=[O:51])[nH:42][c:41]2[c:40]([cH:39][cH:38][c:37]([Cl:36])[cH:52]2)[c:46]1=[O:47])(=[O:20])[O:21][CH3:22]Participants
8
Sources & evidence
- ORD record
- ord-318201112e484f2b8c5c0bb9e05c6678
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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