Sodium ion → 2-[4-[N-acetyl-N-(3-dimethylaminopropyl)amino]-3-fluorophenyl]-6,8-difluoro-5-pentylamino-4H-1-benzopyran-4-one
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][N:8]([CH3:9])[CH3:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH2:30])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[H-:32].[I:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[Na+:33].[OH2:40]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][N:8]([CH3:9])[CH3:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH:30][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-51c51d0c3f61483e8dc0518dba4abf71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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