Benzene → 1-Ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-[3-(4-acetamidobenzenesulfonamido)-1-pyrrolidinyl]-3-quinolinecarboxylic acid

HRID 1549566Notes

Reaction equation

HRID 1549566 reaction equation
[C:25]([CH3:26])(=[O:27])[NH:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:33][cH:34]1.[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:22](=[O:23])[OH:24])[c:6](=[O:21])[c:7]2[cH:8][c:9]([F:20])[c:10]([N:14]3[CH2:15][CH:16]([NH2:19])[CH2:17][CH2:18]3)[c:11]([F:13])[c:12]12.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:22](=[O:23])[OH:24])[c:6](=[O:21])[c:7]2[cH:8][c:9]([F:20])[c:10]([N:14]3[CH2:15][CH:16]([NH:19][S:35]([c:32]4[cH:31][cH:30][c:29]([NH:28][C:25]([CH3:26])=[O:27])[cH:34][cH:33]4)(=[O:36])=[O:37])[CH2:17][CH2:18]3)[c:11]([F:13])[c:12]12

Participants

6

Reactant 5

HCID 241BenzeneHCID 1049PyridineHCID 6228DimethylformamideHCID 8481N-Acetylsulfanilyl chlorideHCID 11724607HCID 11724607, compound

Product 1

HCID 189182031-Ethyl-6,8-difluoro-1,4-dihydro-4-oxo-7-[3-(4-acetamidobenzenesulfonamido)-1-pyrrolidinyl]-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-0b26ac6cc09a46cd8c4fab812416bfcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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