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Sodium Ion → 2-[4-[N-acetyl-N-(1-propyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one

HRID 1572913
Notes
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Reaction equation

HRID 1572913 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:26])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:25])[c:19]([F:24])[c:20]([CH3:23])[c:21]3[F:22])[cH:9][cH:10]1.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[H-:27].[I:29][CH2:30][CH2:31][CH3:32].[Na+:28].[OH2:33]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([F:26])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:25])[c:19]([F:24])[c:20]([CH3:23])[c:21]3[F:22])[cH:9][cH:10]1)[CH2:30][CH2:31][CH3:32]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 336431-IodopropaneHCID 166653HydrideHCID 194349512-(4-acetylamino-3-fluorophenyl)-5-amino-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one

Product 1

HCID 19434890
2-[4-[N-acetyl-N-(1-propyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one

Sources & evidence

ORD record
ord-9cad986a00ff4275a2ef6c2750861625
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes