Water → 1-(4-Fluorob-enzyl)-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-6-methyl-2-oxo-1,2-dihydro-quinolin-3-carbonitrile

HRID 1555359Notes

Reaction equation

HRID 1555359 reaction equation
[F:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][n:15]2[c:16](=[O:34])[c:17]([C:32]#[N:33])[c:18]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[c:19]3[cH:20][c:21]([CH3:25])[cH:22][cH:23][c:24]23)[cH:35][cH:36]1.[OH2:37].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[o:1]1[c:2]([C:6](=[O:7])[Cl:8])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([C:6](=[O:7])[N:29]2[CH2:28][CH2:27][N:26]([c:18]3[c:17]([C:32]#[N:33])[c:16](=[O:34])[n:15]([CH2:14][c:13]4[cH:12][cH:11][c:10]([F:9])[cH:36][cH:35]4)[c:24]4[c:19]3[cH:20][c:21]([CH3:25])[cH:22][cH:23]4)[CH2:31][CH2:30]2)[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 682422-Furancarbonyl chlorideHCID 210818991-(4-Fluoro-benzyl)-6-methyl-2-oxo-4-(piperazin-1-yl)-1,2-dihydro-quinolin-3-carbonitrile

Product 1

HCID 587992381-(4-Fluorob-enzyl)-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-6-methyl-2-oxo-1,2-dihydro-quinolin-3-carbonitrile

Sources & evidence

ORD record
ord-e568983e076a4fa282285d7c96f73839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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