Potassium Cation → Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester

HRID 159593

Reaction equation

HRID 159593 reaction equation
[CH2:53]([CH3:54])[O:55][C:56]([CH2:57][C:58](=[O:59])[CH2:60][Cl:61])=[O:62].[K+:6].[K+:7].[K+:8].[NH2:9][C:10]([C:11]1=[CH:51][N:15]([CH:16]2[CH:17]([OH:18])[CH:19]([OH:20])[CH:21]([CH2:22][O:23][P:24]([O:25][P:26]([O:27][CH2:28][CH:29]3[CH:30]([OH:31])[CH:32]([OH:33])[CH:34]([n:35]4[c:36]5[c:37]([c:38]([NH2:42])[n:39][cH:40][n:41]5)[n:43][cH:44]4)[O:45]3)(=[O:46])[OH:47])(=[O:48])[OH:49])[O:50]2)[CH:14]=[CH:13][CH2:12]1)=[O:52].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[CH2:53]([CH3:54])[O:55][C:56]([CH2:57][CH:58]([OH:59])[CH2:60][Cl:61])=[O:62]

Participants

5

Reactant 4

HCID 813Potassium Cation3×HCID 928Dihydronicotinamide formycin dinucleotideHCID 1061PhosphateHCID 69484Ethyl 4-chloroacetoacetate

Product 1

HCID 4377704Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester

Sources & evidence

ORD record
ord-184a512763714ffb8c000be6aeeea3f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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