Toluene → 3-(1,1-Dimethylethyl)-6-nitro-5-(trifluoromethyl)-1H-indole
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[Br:21].[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[I-:31].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]2[cH:8][cH:9][nH:10][c:11]2[cH:12]1.[S:49]([O-:50])([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56].[S:58]([O-:59])([C:60]([F:61])([F:62])[F:63])(=[O:64])=[O:65].[Zn+2:57]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:13]([F:14])([F:15])[F:16])[cH:6][c:7]2[c:8]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:9][nH:10][c:11]2[cH:12]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-80b7a5b0d1bb4bd386ac1fcbecc7a521
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…