Bicarbonate Ion → 2-Butenedioic acid

HRID 202353Notes

Reaction equation

HRID 202353 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[C:47]([CH:48]=[CH:49][C:50](=[O:51])[O-:52])(=[O:53])[O-:54].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH:6]([c:7]1[n:8][o:9][cH:10][cH:11]1)[O:12][c:13]1[c:14]([C:15]#[N:16])[cH:17][c:18]([F:22])[c:19]([CH3:21])[cH:20]1.[Na+:46].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:55].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[C:47]([CH:48]=[CH:49][C:50](=[O:51])[OH:52])(=[O:53])[OH:54].[NH2:1][CH2:4][CH2:5][CH:6]([c:7]1[n:8][o:9][cH:10][cH:11]1)[O:12][c:13]1[c:14]([C:15]#[N:16])[cH:17][c:18]([F:22])[c:19]([CH3:21])[cH:20]1

Participants

9

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 164547ButenedioateHCID 178429042HCID 178429042, compound

Product 2

HCID 7232-Butenedioic acidHCID 178429034HCID 178429034, compound

Sources & evidence

ORD record
ord-9321f7b8bbae49cea47f5270f9d4e5e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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