Sodium ion → 5-(4-chlorobutylamino)-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one
Reaction equation
[Br:29][CH2:30][CH2:31][CH2:32][CH2:33][Cl:34].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[H-:35].[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.[Na+:36].[OH2:37]>>[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)[CH2:30][CH2:31][CH2:32][CH2:33][Cl:34]Participants
7
Sources & evidence
- ORD record
- ord-52b4a84d70ba41fdbee312c36d3bef42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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