Citric Acid → HCID 178460449, compound

HRID 185561Notes

Reaction equation

HRID 185561 reaction equation
[C:34]([CH2:35][CH3:36])(=[O:37])[Cl:38].[C:40]([OH:41])(=[O:42])[CH2:43][C:44]([CH2:45][C:46]([OH:47])=[O:48])([C:49]([OH:50])=[O:51])[OH:52].[CH3:54][c:55]1[cH:56][c:57]([CH3:58])[cH:59][c:60]([CH3:61])[n:62]1.[CH:1]1([CH2:4][n:5]2[n:6][c:7]([O:22][CH:23]3[CH:24]([OH:25])[CH:26]([OH:27])[CH:28]([OH:29])[CH:30]([CH2:32][OH:33])[O:31]3)[c:8]([CH2:11][c:12]3[cH:13][cH:14][c:15]([O:18][CH:19]([CH3:20])[CH3:21])[cH:16][cH:17]3)[c:9]2[CH3:10])[CH2:2][CH2:3]1.[OH2:39].[OH2:53]>>[CH:1]1([CH2:4][n:5]2[n:6][c:7]([O:22][CH:23]3[CH:24]([OH:25])[CH:26]([OH:27])[CH:28]([OH:29])[CH:30]([CH2:32][O:33][C:34]([CH2:35][CH3:36])=[O:37])[O:31]3)[c:8]([CH2:11][c:12]3[cH:13][cH:14][c:15]([O:18][CH:19]([CH3:20])[CH3:21])[cH:16][cH:17]3)[c:9]2[CH3:10])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 962Water2×HCID 79532,4,6-TrimethylpyridineHCID 62324Propionyl chlorideHCID 178422727HCID 178422727, compound

Product 1

HCID 178460449HCID 178460449, compound

Sources & evidence

ORD record
ord-13bf97c1152a4f0a8355f608c94a6a6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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