Toluene → 4-[2-(Tert-butoxycarbonyl)ethenyl]-8-chloro-3-methoxy-2,5-dioxo-2,5-dihydro-1H-benz[b]azepine
Reaction equation
[C:40]([CH:41]=[CH2:42])(=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([nH:29][c:30](=[O:38])[c:31]([O:36][CH3:37])[c:32]([I:35])[c:33]2=[O:34])[cH:39]1.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:63].[Pd:64].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[Cl:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([nH:29][c:30](=[O:38])[c:31]([O:36][CH3:37])[c:32]([CH:42]=[CH:41][C:40](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[c:33]2=[O:34])[cH:39]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-164549b12ea9461e9c05ba1c25fd9b2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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