Sodium ion → Cyclopropanesulfonic acid [6-chloro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-8-carbonyl]-amide

HRID 2310814Notes

Reaction equation

HRID 2310814 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.[Cl:10][c:11]1[cH:12][c:13]2[c:18]([c:19]([C:21](=[O:22])[OH:23])[cH:20]1)[NH:17][CH:16]([c:24]1[cH:25][c:26]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[cH:27][cH:28][cH:29]1)[C:15]([CH3:36])([CH3:37])[CH2:14]2.[H-:1].[Na+:2]>>[CH:3]1([S:6](=[O:7])(=[O:8])[NH:9][C:21]([c:19]2[c:18]3[c:13]([cH:12][c:11]([Cl:10])[cH:20]2)[CH2:14][C:15]([CH3:36])([CH3:37])[CH:16]([c:24]2[cH:25][c:26]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:27][cH:28][cH:29]2)[NH:17]3)=[O:22])[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 15765418CyclopropanesulfonamideHCID 534921136-Chloro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

Product 1

HCID 58476294Cyclopropanesulfonic acid [6-chloro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-8-carbonyl]-amide

Sources & evidence

ORD record
ord-11c5c9cbb7974cf19c1539a60b8b9543
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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