Citric Acid → Cyclohexylamine

HRID 1570874Notes

Reaction equation

HRID 1570874 reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([CH2:14][C:15]([C:16](=[O:17])[OH:18])=[CH:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([CH3:34])[c:25](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1)=[O:35].[CH3:56][OH:57].[CH:1]1([NH2:7])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:49][CH:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:58].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([CH3:34])[c:25](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1)=[O:35].[CH:1]1([NH2:7])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 5

HCID 311Citric AcidHCID 887MethanolHCID 962WaterHCID 7965Cyclohexylamine2×HCID 69679959HCID 69679959, compound

Product 2

HCID 7965CyclohexylamineHCID 22708849HCID 22708849, compound

Sources & evidence

ORD record
ord-703f439b79ce451eb1b1ad8805cec031
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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