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

HRID 694619Notes

Reaction equation

HRID 694619 reaction equation
[C:36]([n:37]1[cH:38][cH:39][n:40][cH:41]1)([n:42]1[cH:43][cH:44][n:45][cH:46]1)=[O:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:3]1([S:6](=[O:7])(=[O:8])[NH2:9])[CH2:4][CH2:5]1.[F:10][CH:11]1[CH2:12][N:13]([c:15]2[cH:16][c:17]([CH:21]3[NH:22][c:23]4[cH:24][cH:25][c:26]([C:33](=[O:34])[OH:35])[cH:27][c:28]4[CH2:29][C:30]3([CH3:31])[CH3:32])[cH:18][cH:19][cH:20]2)[CH2:14]1.[H-:1].[Na+:2]>>[CH:3]1([S:6](=[O:7])(=[O:8])[NH:9][C:33]([c:26]2[cH:25][cH:24][c:23]3[c:28]([cH:27]2)[CH2:29][C:30]([CH3:31])([CH3:32])[CH:21]([c:17]2[cH:16][c:15]([N:13]4[CH2:12][CH:11]([F:10])[CH2:14]4)[cH:20][cH:19][cH:18]2)[NH:22]3)=[O:34])[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 15765418CyclopropanesulfonamideHCID 674413362-[3-(3-Fluoro-azetidin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Product 1

HCID 58476272Cyclopropanesulfonic acid {2-[3-(3-fluoro-azetidin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carbonyl}-amide

Sources & evidence

ORD record
ord-8c0141d95c0e4afe9fc85021de6c4b5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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