Acetonitrile → 3-(3-Bromopropyl)-5-nitro-1H-indole
Reaction equation
[Br:36][C:37]([Br:38])([Br:39])[Br:40].[CH3:41][C:42]#[N:43].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][c:25]2[c:26]([CH2:32][CH2:33][CH2:34][OH:35])[cH:27][nH:28][c:29]2[cH:30][cH:31]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][c:25]2[c:26]([CH2:32][CH2:33][CH2:34][Br:36])[cH:27][nH:28][c:29]2[cH:30][cH:31]1Participants
5
Sources & evidence
- ORD record
- ord-3163c13def7e4a11b50f91120fc93a66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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