Chloride → 6-[[2-(Acetylamino)-1-oxopropyl]amino]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

HRID 2145338

Reaction equation

HRID 2145338 reaction equation
[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[CH3:1][CH:2]([NH:3][C:4]([CH3:5])=[O:6])[C:7]([OH:8])=[O:9].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl-:46].[Cl:41][Si:42]([CH3:43])([CH3:44])[CH3:45].[Cl:57][CH2:58][Cl:59].[NH2:19][c:20]1[cH:21][c:22]2[c:23](=[O:33])[c:24]([C:30](=[O:31])[OH:32])[cH:25][nH:26][c:27]2[cH:28][cH:29]1.[S:10]([Cl:11])([Cl:12])=[O:13].[cH:47]1[cH:48][c:49]2[c:50]([n:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56]1>>[CH3:1][CH:2]([NH:3][C:4]([CH3:5])=[O:6])[C:7](=[O:9])[NH:19][c:20]1[cH:21][c:22]2[c:23](=[O:33])[c:24]([C:30](=[O:31])[OH:32])[cH:25][nH:26][c:27]2[cH:28][cH:29]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6397ChlorotrimethylsilaneHCID 7047QuinolineHCID 7345N-Acetyl-DL-alanineHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 32812016-Amino-4-hydroxyquinoline-3-carboxylic acid

Product 1

HCID 131368746-[[2-(Acetylamino)-1-oxopropyl]amino]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-1121761c8e484873884e6dfe46ba4b96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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