Acetic Acid → (2-Chloroacetamido) (2-benzoyl-4-nitrophenylazo)-malonic acid diethyl ester

HRID 312348Notes

Reaction equation

HRID 312348 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:23]([CH3:24])[O:25][C:26]([CH:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[NH:33][C:34]([CH2:35][Cl:36])=[O:37])=[O:38].[CH3:47][C:48](=[O:49])[OH:50].[CH3:52][C:53](=[O:54])[CH3:55].[Cl-:46].[ClH:51].[K+:43].[K+:44].[N:19]([O-:20])=[O:21].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1.[Na+:22].[Na+:45].[OH2:56].[cH:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[N:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1)=[N:19][C:27]([C:26]([O:25][CH2:23][CH3:24])=[O:38])([C:28](=[O:29])[O:30][CH2:31][CH3:32])[NH:33][C:34]([CH2:35][Cl:36])=[O:37]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 180AcetoneHCID 241BenzeneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 156812-Amino-5-nitrobenzophenoneHCID 19660Carbonate IonHCID 243559Diethyl (2-chloroacetamido)propanedioate

Product 1

HCID 54206090(2-Chloroacetamido) (2-benzoyl-4-nitrophenylazo)-malonic acid diethyl ester

Sources & evidence

ORD record
ord-21a18a0babf84abf9c81208126dcee8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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