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

HRID 100650Notes

Reaction equation

HRID 100650 reaction equation
[C:37]([n:38]1[cH:39][cH:40][n:41][cH:42]1)([n:43]1[cH:44][cH:45][n:46][cH:47]1)=[O:48].[CH3:10][C:11]1([CH3:36])[CH:12]([c:24]2[cH:25][n:26][cH:27][c:28]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[cH:29]2)[NH:13][c:14]2[cH:15][cH:16][c:17]([C:21](=[O:22])[OH:23])[cH:18][c:19]2[CH2:20]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:3]1([S:6](=[O:7])(=[O:8])[NH2:9])[CH2:4][CH2:5]1.[H-:1].[Na+:2]>>[CH:3]1([S:6](=[O:7])(=[O:8])[NH:9][C:21]([c:17]2[cH:16][cH:15][c:14]3[c:19]([cH:18]2)[CH2:20][C:11]([CH3:10])([CH3:36])[CH:12]([c:24]2[cH:25][n:26][cH:27][c:28]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:29]2)[NH:13]3)=[O:22])[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 15765418CyclopropanesulfonamideHCID 674435563,3-Dimethyl-2-(5-morpholin-4-yl-pyridin-3-yl)-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Product 1

HCID 58476216Cyclopropanesulfonic acid [3,3-dimethyl-2-(5-morpholin-4-yl-pyridin-3-yl)-1,2,3,4-tetrahydro-quinoline-6-carbonyl]-amide

Sources & evidence

ORD record
ord-2fe67ca19a6c43488427890029b4b8fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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