Chloride → HCID 76607225, compound

HRID 701666Notes

Reaction equation

HRID 701666 reaction equation
[C:47]([C:48](=[O:49])[O-:50])(=[O:51])[O:52][CH2:53][CH3:54].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:46].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:11]3[c:12]([O:28][CH3:29])[c:13]([N:20]4[CH2:21][CH:22]([CH3:27])[NH:23][CH:24]([CH3:26])[CH2:25]4)[c:14]([F:19])[cH:15][c:16]3[c:17]2=[O:18])[cH:35][cH:36][c:37]([Cl:39])[cH:38]1.[Cl:55][CH2:56][Cl:57].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:30][C:31]([F:32])([F:33])[F:34])[c:11]3[c:12]([O:28][CH3:29])[c:13]([N:20]4[CH2:21][CH:22]([CH3:27])[N:23]([C:48]([C:47](=[O:51])[O:52][CH2:53][CH3:54])=[O:49])[CH:24]([CH3:26])[CH2:25]4)[c:14]([F:19])[cH:15][c:16]3[c:17]2=[O:18])[cH:35][cH:36][c:37]([Cl:39])[cH:38]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 21943339Ethanedioic acid, monoethyl esterHCID 76607220N-(2,4-Dichlorobenzyl)-7-[(3RS,5RS)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-1-(2,2,2-trifluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Product 1

HCID 76607225HCID 76607225, compound

Sources & evidence

ORD record
ord-446547032db94f158765ef43360fc6d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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