Ammonium → 6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-5-hexylamino-4H-1-benzopyran-4-one
Reaction equation
[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl-:38].[H-:29].[I:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[NH2:1][c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2.[NH4+:39].[Na+:30]>>[NH:1]([c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37]Participants
8
Sources & evidence
- ORD record
- ord-df84d0749c254c58ae08a096c6deb83e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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