Potassium Cation → 5-Cyano-2-{[(2-nitro-benzenesulfonyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino}-methyl}-benzoic acid methyl ester

HRID 1563957Notes

Reaction equation

HRID 1563957 reaction equation
[CH3:24][O:25][C:26]([c:27]1[c:28]([CH2:35][Br:36])[cH:29][cH:30][c:31]([C:33]#[N:34])[cH:32]1)=[O:37].[CH3:46][C:47]#[N:48].[K+:38].[K+:39].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][n:22][c:23]32)[cH:6][cH:7][cH:8][cH:9]1.[N:44]#[N:45].[O-:40][C:41]([O-:42])=[O:43]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][n:22][c:23]32)[CH2:35][c:28]2[c:27]([C:26]([O:25][CH3:24])=[O:37])[cH:32][c:31]([C:33]#[N:34])[cH:30][cH:29]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 947NitrogenHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 17965928Methyl 2-(bromomethyl)-5-cyanobenzoateHCID 226013948-(2-Nitrobenzenesulfonyl)amino-5,6,7,8-tetrahydroquinoline

Product 1

HCID 672716105-Cyano-2-{[(2-nitro-benzenesulfonyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino}-methyl}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-e3acc016a1754fb5ac659bf8b9c73502
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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