Citric Acid → 4-Amino-5-Cyano-2-fluoro-6-methylbiphenyl-3-yl cyclobutanecarboxylate
Reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:46][C:47]#[N:48].[CH:26]1([C:30](=[O:31])[Cl:32])[CH2:27][CH2:28][CH2:29]1.[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:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[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:30]([CH:26]1[CH2:27][CH2:28][CH2:29]1)=[O:31]Participants
6
Sources & evidence
- ORD record
- ord-6adc146b145347b196ef81dc06b92d1e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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