Sodium ion → Cyclopropanesulfonic acid [6-fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carbonyl]-amide

HRID 1115007Notes

Reaction equation

HRID 1115007 reaction equation
[C:38]([n:39]1[cH:40][cH:41][n:42][cH:43]1)([n:44]1[cH:45][cH:46][n:47][cH:48]1)=[O:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:3]1([S:6](=[O:7])(=[O:8])[NH2:9])[CH2:4][CH2:5]1.[F:10][c:11]1[c:12]([C:35](=[O:36])[OH:37])[c:13]2[c:18]([cH:19][cH:20]1)[NH:17][CH:16]([c:21]1[cH:22][c:23]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:24][cH:25][cH:26]1)[C:15]([CH3:33])([CH3:34])[CH2:14]2.[H-:1].[Na+:2]>>[CH:3]1([S:6](=[O:7])(=[O:8])[NH:9][C:35]([c:12]2[c:11]([F:10])[cH:20][cH:19][c:18]3[c:13]2[CH2:14][C:15]([CH3:33])([CH3:34])[CH:16]([c:21]2[cH:22][c:23]([N:27]4[CH2:28][CH2:29][O:30][CH2:31][CH2:32]4)[cH:24][cH:25][cH:26]2)[NH:17]3)=[O:36])[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 15765418CyclopropanesulfonamideHCID 534921796-Fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carboxylic acid

Product 1

HCID 58476285Cyclopropanesulfonic acid [6-fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carbonyl]-amide

Sources & evidence

ORD record
ord-e592d495102e47c7a1dfb851572b67f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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