Acetic Acid → 1-(3-chloro-4-fluoro-benzylamino)-1H-pyrrole-2-carboxylic acid allyl ester
Reaction equation
[C:1]([BH3-:2])#[N:3].[CH2:5]([CH:6]=[CH2:7])[O:8][C:9](=[O:10])[c:11]1[n:12]([NH2:16])[cH:13][cH:14][cH:15]1.[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][OH:32].[Cl:17][c:18]1[cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24][c:25]1[F:26].[Na+:4]>>[CH2:5]([CH:6]=[CH2:7])[O:8][C:9](=[O:10])[c:11]1[n:12]([NH:16][CH2:21][c:20]2[cH:19][c:18]([Cl:17])[c:25]([F:26])[cH:24][cH:23]2)[cH:13][cH:14][cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-23cbefd271204f538d3daf86aabf87dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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