Citric Acid → HCID 21880579, compound

HRID 287932Notes

Reaction equation

HRID 287932 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH2:1]([CH3:2])[I:3].[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[Cl:4][c:5]1[c:6](-[n:11]2[n:12][c:13]3[c:14]([n:15][c:16]([CH3:25])[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[c:18]3=[O:19])[c:26]2-[c:27]2[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]2)[cH:7][cH:8][cH:9][cH:10]1.[Cs+:38].[Cs+:39].[OH:47][C:48]([CH2:49][C:50]([C:51](=[O:52])[OH:53])([CH2:54][C:55](=[O:56])[OH:57])[OH:58])=[O:59]>>[CH2:1]([CH3:2])[O:33][c:30]1[cH:29][cH:28][c:27](-[c:26]2[n:11](-[c:6]3[c:5]([Cl:4])[cH:10][cH:9][cH:8][cH:7]3)[n:12][c:13]3[c:14]2[n:15][c:16]([CH3:25])[n:17]([CH2:20][C:21]([F:22])([F:23])[F:24])[c:18]3=[O:19])[cH:32][cH:31]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 6340IodoethaneHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 135839338HCID 135839338, compound

Product 1

HCID 21880579HCID 21880579, compound

Sources & evidence

ORD record
ord-bfd698681aa5481ca06f8e5390b5ec13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…