Toluene → 3-(tert-Butyl)-6-nitro-1h-indole
Reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[Br:26].[CH2:28]([N+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[I-:27].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[cH:8][cH:9][nH:10][c:11]2[cH:12]1.[S:52]([O-:53])([C:54]([F:55])([F:56])[F:57])(=[O:58])=[O:59].[S:61]([O-:62])([C:63]([F:64])([F:65])[F:66])(=[O:67])=[O:68].[Zn+2:60]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:9][nH:10][c:11]2[cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-6ca666f625fc4f78916cde9a03375ea5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…