Toluene → 3a-amino-2-(1-phenylethyl)-3,4,7,7a-tetrahydroisoindol-1-one
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:25]=[C:26]1[CH:27]2[CH2:28][CH:29]=[CH:30][CH2:31][C:32]2([C:43]([OH:44])=[O:45])[CH2:33][N:34]1[CH:35]([CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:8]1([P:9]([N:10]=[N+:11]=[N-:12])([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH2:3][C:32]12[CH:27]([C:26](=[O:25])[N:34]([CH:35]([CH3:36])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:33]1)[CH2:28][CH:29]=[CH:30][CH2:31]2Participants
5
Sources & evidence
- ORD record
- ord-397dac79061c42d582e9d178ab665402
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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