Potassium Cation → 2-Butenedioic acid

HRID 321519Notes

Reaction equation

HRID 321519 reaction equation
[C:37]([CH:38]=[CH:39][C:40](=[O:41])[O-:42])(=[O:43])[O-:44].[CH2:26]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[Br:34].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[I-:36].[K+:20].[K+:21].[K+:35].[O-:22][C:23]([O-:24])=[O:25].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:50].[c:1]1([C:7]2([CH2:16][CH2:17][NH:18][CH3:19])[CH2:8][O:9][c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[C:37]([CH:38]=[CH:39][C:40](=[O:41])[OH:42])(=[O:43])[OH:44].[c:1]1([C:7]2([CH:16]([CH2:17][NH:18][CH3:19])[CH2:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:8][O:9][c:10]3[c:11]2[cH:12][cH:13][cH:14][cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 9

HCID 813Potassium Cation3×HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 7666Phenethyl bromideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 164547ButenedioateHCID 13656118HCID 13656118, compound

Product 2

HCID 7232-Butenedioic acidHCID 70425646HCID 70425646, compound

Sources & evidence

ORD record
ord-00f7d321a5774bac8605a7572636d828
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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