Acetonitrile → 6-Chloro-4-(1-ethoxycarbonyl-piperidin-4-ylamino)2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester

HRID 99189Notes

Reaction equation

HRID 99189 reaction equation
[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][CH:37]([NH2:40])[CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](=[O:17])[nH:7][c:8]2[cH:9][cH:10][c:11]([Cl:16])[cH:12][c:13]2[c:14]1[OH:15].[CH3:41][C:42]#[N:43].[Cl:44][CH2:45][Cl:46].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([Cl:24])(=[O:25])=[O:26])[cH:27][cH:28]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](=[O:17])[nH:7][c:8]2[cH:9][cH:10][c:11]([Cl:16])[cH:12][c:13]2[c:14]1[NH:40][CH:37]1[CH2:36][CH2:35][N:34]([C:32]([O:31][CH2:29][CH3:30])=[O:33])[CH2:39][CH2:38]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 100867Ethyl 4-amino-1-piperidinecarboxylateHCID 69738561Methyl 6-chloro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate

Product 1

HCID 697369586-Chloro-4-(1-ethoxycarbonyl-piperidin-4-ylamino)2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-312e090e8c874f17adf672416a0b4712
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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