Water → HCID 54099002, compound

HRID 663768Notes

Reaction equation

HRID 663768 reaction equation
[CH3:12][O:13][c:14]1[c:15]([CH2:20][C:21](=[O:22])[OH:23])[cH:16][cH:17][cH:18][cH:19]1.[CH3:34][C:35]([O:36][C:37](=[O:38])[CH3:39])=[O:40].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:6]=[O:7])[cH:8][cH:9][cH:10][cH:11]1.[OH2:33]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:6]=[C:20]([c:15]2[c:14]([O:13][CH3:12])[cH:19][cH:18][cH:17][cH:16]2)[C:21](=[O:22])[OH:23])[cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 962WaterHCID 71342-Methoxyphenylacetic acidHCID 7918Acetic AnhydrideHCID 111012-NitrobenzaldehydeHCID 81531Diisopropylethylamine

Product 1

HCID 54099002HCID 54099002, compound

Sources & evidence

ORD record
ord-ff44f2784c4244bbb4a7fd488df2bf71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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