5-Fluoroindole-2-carboxylic acid → HCID 178519281, compound
Reaction equation
[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[Cl:38][CH2:39][Cl:40].[F:14][c:15]1[cH:16][c:17]2[cH:18][c:19]([C:24](=[O:25])[OH:26])[nH:20][c:21]2[cH:22][cH:23]1.[n:1]1[c:2]([N:7]2[CH:8]3[CH2:9][NH:10][CH:11]([CH2:12]2)[CH2:13]3)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH:8]3[CH2:9][N:10]([C:24]([c:19]4[cH:18][c:17]5[cH:16][c:15]([F:14])[cH:23][cH:22][c:21]5[nH:20]4)=[O:25])[CH:11]([CH2:12]2)[CH2:13]3)[cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-d513d5fe6d354dfe9a9bf2d0ab119f2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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