Butyric Acid → butyryloxy(phenyl)methyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

HRID 294107Notes

Reaction equation

HRID 294107 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:42][CH2:43][CH2:44][C:45]([OH:46])=[O:47].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[Cl:40])[C:26](=[O:41])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8].[Cs+:52].[Cs+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[O:47][C:45]([CH2:44][CH2:43][CH3:42])=[O:46])[C:26](=[O:41])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]

Participants

7

Reactant 6

HCID 264Butyric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 66815335chloro(phenyl)methyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

Product 1

HCID 56597054butyryloxy(phenyl)methyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

Sources & evidence

ORD record
ord-8dc928de68ab44ad88c9e16c0b750b94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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