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

HRID 102151

Reaction equation

HRID 102151 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH3:7])[c:8]1[c:9]([F:29])[cH:10][c:11](-[c:14]2[o:15][c:16]3[c:17]([c:18](=[O:20])[cH:19]2)[c:21]([NH2:28])[c:22]([F:27])[c:23]([CH3:26])[c:24]3[F:25])[cH:12][cH:13]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[H-:30].[I:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[Na+:31].[OH2:38]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH3:7])[c:8]1[c:9]([F:29])[cH:10][c:11](-[c:14]2[o:15][c:16]3[c:17]([c:18](=[O:20])[cH:19]2)[c:21]([NH:28][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:22]([F:27])[c:23]([CH3:26])[c:24]3[F:25])[cH:12][cH:13]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 123351-IodopentaneHCID 166653HydrideHCID 194348902-[4-[N-acetyl-N-(1-propyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one

Product 1

HCID 194350112-[4-[N-acetyl-N-(1-propyl)amino]-3-fluorophenyl]-6,8-difluoro-7-methyl-5-(1-pentylamino)-4H-1-benzopyran-4-one

Sources & evidence

ORD record
ord-d28abb665c5746f799b5c34865d8490c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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