Toluene → 1-Methyl-5-nitroindolin-2-one
Reaction equation
[C:16]([P:17]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1-[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([CH3:34])([CH3:35])[CH3:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:1][CH2:2][C:3](=[O:4])[N:5]([c:6]1[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)[CH3:15].[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:51].[Pd:52]>>[CH2:2]1[C:3](=[O:4])[N:5]([CH3:15])[c:6]2[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]21Participants
7
Sources & evidence
- ORD record
- ord-aefdd0ba3d4144dc8f5dd2d47fa2ab42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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