Sodium ion → 2-[4-(3-dimethylaminopropylamino)-3-fluorophenyl]-6,8-difluoro-5-pentylamino-4H-1-benzopyran-4-one
Reaction equation
[C:6](=[O:7])([CH3:8])[N:9]([CH2:10][CH2:11][CH2:12][N:13]([CH3:14])[CH3:15])[c:16]1[c:17]([F:41])[cH:18][c:19](-[c:22]2[o:23][c:24]3[c:25]([c:26](=[O:28])[cH:27]2)[c:29]([NH:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[c:30]([F:34])[cH:31][c:32]3[F:33])[cH:20][cH:21]1.[Na+:43].[OH-:42].[OH2:44].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[NH:9]([CH2:10][CH2:11][CH2:12][N:13]([CH3:14])[CH3:15])[c:16]1[c:17]([F:41])[cH:18][c:19](-[c:22]2[o:23][c:24]3[c:25]([c:26](=[O:28])[cH:27]2)[c:29]([NH:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[c:30]([F:34])[cH:31][c:32]3[F:33])[cH:20][cH:21]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-5f97a9f9dac740c38cc70b328bf5b86b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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