Citric Acid → HCID 178460450, compound

HRID 1548473Notes

Reaction equation

HRID 1548473 reaction equation
[C:33]([CH2:34][CH3:35])(=[O:36])[Cl:37].[C:39]([OH:40])(=[O:41])[CH2:42][C:43]([CH2:44][C:45]([OH:46])=[O:47])([C:48]([OH:49])=[O:50])[OH:51].[CH3:53][c:54]1[cH:55][c:56]([CH3:57])[cH:58][c:59]([CH3:60])[n:61]1.[CH:1]1([O:12][c:13]2[n:14][n:15]([CH:30]([CH3:31])[CH3:32])[c:16]([CH3:29])[c:17]2[CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH:26]([CH3:27])[CH3:28])[cH:23][cH:24]2)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([CH2:10][OH:11])[O:9]1.[OH2:38].[OH2:52]>>[CH:1]1([O:12][c:13]2[n:14][n:15]([CH:30]([CH3:31])[CH3:32])[c:16]([CH3:29])[c:17]2[CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH:26]([CH3:27])[CH3:28])[cH:23][cH:24]2)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([CH2:10][O:11][C:33]([CH2:34][CH3:35])=[O:36])[O:9]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 962Water2×HCID 79532,4,6-TrimethylpyridineHCID 62324Propionyl chlorideHCID 21933648HCID 21933648, compound

Product 1

HCID 178460450HCID 178460450, compound

Sources & evidence

ORD record
ord-0241522fd8c64a48ad0d4e536e5496be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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