Methanol → 2-Butenedioic acid

HRID 1541070Notes

Reaction equation

HRID 1541070 reaction equation
[C:27]([CH:28]=[CH:29][C:30](=[O:31])[O-:32])(=[O:33])[O-:34].[CH3:1][N:2]1[CH2:3][CH:4]2[CH2:5][N:6]([CH3:12])[CH2:7][CH:8]([CH2:9]1)[CH:10]2[OH:11].[CH3:35][OH:36].[CH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[Br:26]>>[C:27]([CH:28]=[CH:29][C:30](=[O:31])[OH:32])(=[O:33])[OH:34].[CH3:1][N:2]1[CH2:3][CH:4]2[CH2:5][N:6]([CH3:12])[CH2:7][CH:8]([CH2:9]1)[CH:10]2[O:11][CH:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

6

Reactant 4

HCID 887MethanolHCID 164547ButenedioateHCID 236603BromodiphenylmethaneHCID 123608323,7-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

Product 2

HCID 7232-Butenedioic acidHCID 14367992HCID 14367992, compound

Sources & evidence

ORD record
ord-a4ad6338db21410da2520384f7c4bd13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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