Citric Acid → 4-Amino-5-cyano-2-fluoro-6-methylbiphenyl-3-yl cyclopentenecarboxylate
Reaction equation
[C:26]1([C:31](=[O:32])[Cl:33])=[CH:27][CH2:28][CH2:29][CH2:30]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:47][C:48]#[N:49].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:18])[c:7](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]([F:11])[c:9]1[OH:10].[OH:34][C:35]([CH2:36][C:37]([C:38](=[O:39])[OH:40])([CH2:41][C:42](=[O:43])[OH:44])[OH:45])=[O:46]>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:18])[c:7](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]([F:11])[c:9]1[O:10][C:31]([C:26]1=[CH:27][CH2:28][CH2:29][CH2:30]1)=[O:32]Participants
6
Sources & evidence
- ORD record
- ord-f2a57df32218483993035b0dd1620847
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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