Citric Acid → HCID 22016617, compound

HRID 1536196Notes

Reaction equation

HRID 1536196 reaction equation
[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([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.[Cl:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[OH2:39].[OH2:53]>>[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:34](=[O:35])[O:36][CH2:37][CH3:38])[O:9]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 962Water2×HCID 79532,4,6-TrimethylpyridineHCID 10928Ethyl chloroformateHCID 21933648HCID 21933648, compound

Product 1

HCID 22016617HCID 22016617, compound

Sources & evidence

ORD record
ord-da3d0c210e3b4027b3bb56fe12213e69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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