Citric Acid → Magnesium

HRID 159795Notes

Reaction equation

HRID 159795 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][N:23]([c:27]2[c:28]([CH3:38])[c:29]([F:37])[c:30]([C:31](=[O:32])[OH:33])[cH:34][c:35]2[F:36])[CH2:24][CH:25]1[CH3:26].[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[C:39]([CH2:40][C:41]([O-:42])=[O:43])(=[O:44])[O:45][CH2:46][CH3:47].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl-:49].[Cl-:51].[K+:48].[Mg+2:50].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH:59][C:60]([CH2:61][C:62]([C:63](=[O:64])[OH:65])([CH2:66][C:67](=[O:68])[OH:69])[OH:70])=[O:71]>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH:21]1[CH2:22][N:23]([c:27]2[c:28]([CH3:38])[c:29]([F:37])[c:30]([C:31](=[O:33])[CH2:40][C:39](=[O:44])[O:45][CH2:46][CH3:47])[cH:34][c:35]2[F:36])[CH2:24][CH:25]1[CH3:26].[Mg:50]

Participants

12

Reactant 10

HCID 311Citric AcidHCID 312Chloride2×HCID 813Potassium CationHCID 888Magnesium CationHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 682631,1'-CarbonyldiimidazoleHCID 3595298Propanedioic acid, monoethyl esterHCID 914967792,5-Difluoro-3-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoic acid

Product 2

HCID 5462224MagnesiumHCID 178472174HCID 178472174, compound

Sources & evidence

ORD record
ord-b6686b91dea549d0973b8291e195a0a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…