Indole → 6-Nitro-1-pyrimidin-5-ylmethyl-1H-indole
Reaction equation
[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[CH3:9][S:10](=[O:11])(=[O:12])[Cl:13].[Cl:42][CH2:43][Cl:44].[H-:36].[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][cH:28][c:29]2[cH:30][cH:31][nH:32][c:33]2[cH:34]1.[Na+:35].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:1][CH2:2][c:3]1[cH:4][n:5][cH:6][n:7][cH:8]1.[nH:14]1[c:15]2[c:16]([cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1>>[CH2:2]([c:3]1[cH:4][n:5][cH:6][n:7][cH:8]1)[n:32]1[cH:31][cH:30][c:29]2[cH:28][cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:34][c:33]21Participants
10
Sources & evidence
- ORD record
- ord-d7e75b96e108486e8da0a9df40d56cd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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