Water → HCID 9927793, compound

HRID 1113255Notes

Reaction equation

HRID 1113255 reaction equation
[C:1]([OH:3])([CH:4]1[C:5]([OH:2])([C:25]([F:26])([F:27])[F:28])[NH:6][C:7]2=[C:12]([C:11](=[O:23])[CH2:10][CH2:9][CH2:8]2)[CH:13]1[c:14]1[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]1)=[O:24].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[OH2:29].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[CH:4]1=[C:5]([C:25]([F:26])([F:27])[F:28])[NH:6][C:7]2=[C:12]([C:11](=[O:23])[CH2:10][CH2:9][CH2:8]2)[CH:13]1[c:14]1[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 199589043-carboxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinolone

Product 1

HCID 9927793HCID 9927793, compound

Sources & evidence

ORD record
ord-3703227da4084b949f01b551506bc3d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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