Citric Acid → HCID 66790380, compound

HRID 191597Notes

Reaction equation

HRID 191597 reaction equation
[Br:22][c:23]1[c:24]([O:25][C:26]([C:27](=[O:28])[Cl:29])([CH3:30])[CH3:31])[cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]1.[CH2:17]([Li:18])[CH2:19][CH2:20][CH3:21].[CH3:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].[F:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([NH2:6])[c:7]([CH3:9])[cH:8]1.[Na+:52].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51].[OH:53][C:54](=[O:55])[O-:56]>>[F:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([NH:6][C:27]([C:26]([O:25][c:24]2[c:23]([Br:22])[cH:35][cH:34][c:33]([N+:36](=[O:37])[O-:38])[cH:32]2)([CH3:30])[CH3:31])=[O:28])[c:7]([CH3:9])[cH:8]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8058HexaneHCID 14039084-fluoro-2,6-dimethylanilineHCID 86626314HCID 86626314, compoundHCID 178418339Butyllithium

Product 1

HCID 66790380HCID 66790380, compound

Sources & evidence

ORD record
ord-b09a1d5e354747439b7f2e1a2509f695
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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