Bromide ion → 4-(3-Fluorophenyl)-6-methoxy-1-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-3-carbonitrile

HRID 94295Notes

Reaction equation

HRID 94295 reaction equation
[Br-:26].[CH3:27][S:28]([O:29][CH2:32][c:33]1[n:34][cH:35][n:36][n:37]1[CH3:38])(=[O:30])=[O:31].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[F:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:21]#[N:22])[c:10](=[O:20])[nH:11][c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:5][cH:6][cH:7]1.[H-:23].[Li+:25].[Na+:24]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:21]#[N:22])[c:10](=[O:20])[n:11]([CH2:32][c:33]3[n:34][cH:35][n:36][n:37]3[CH3:38])[c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ionHCID 6228DimethylformamideHCID 80711,2-DimethoxyethaneHCID 28486Lithium ionHCID 166653HydrideHCID 114151654-(3-Fluorophenyl)-6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbonitrileHCID 86611705(1-Methyl-1H-1,2,4-triazol-5-yl)methyl methanesulfonate

Product 1

HCID 112921974-(3-Fluorophenyl)-6-methoxy-1-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-3-carbonitrile

Sources & evidence

ORD record
ord-3dae9408b4bc4c4fb8468ae7eb9e94f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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