Hydrogen Bromide → 2-Butenedioic acid

HRID 2328848Notes

Reaction equation

HRID 2328848 reaction equation
[BrH:33].[C:34]([CH:35]=[CH:36][C:37](=[O:38])[O-:39])(=[O:40])[O-:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][CH:10]2[N:11]([S:16]([c:17]3[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]3)(=[O:24])=[O:25])[CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:6][cH:7]1.[OH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:34]([CH:35]=[CH:36][C:37](=[O:38])[OH:39])(=[O:40])[OH:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][CH:10]2[NH:11][CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

6

Reactant 4

HCID 260Hydrogen BromideHCID 996PhenolHCID 164547ButenedioateHCID 20217759HCID 20217759, compound

Product 2

HCID 7232-Butenedioic acidHCID 13608001Piperidine, 2-[[(4-chlorophenyl)thio]methyl]-

Sources & evidence

ORD record
ord-3db5a8635cbc40ee9f967dad081e13e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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