Citric Acid → HCID 52934125, compound

HRID 161308Notes

Reaction equation

HRID 161308 reaction equation
[CH3:51][CH2:52][OH:53].[CH:41]([O:42][CH2:43][CH3:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50].[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6][c:7](-[c:10]3[cH:11][n:12][n:13]4[c:14]3[cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]4)[cH:8][cH:9]2)[n:21]1[CH:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40]>>[cH:2]1[n:3][c:4]2[c:5]([n:6][c:7](-[c:10]3[cH:11][n:12][n:13]4[c:14]3[cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]4)[cH:8][cH:9]2)[n:21]1[CH:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1

Participants

5

Reactant 4

HCID 311Citric AcidHCID 702EthanolHCID 31214Ethyl orthoformateHCID 67123825HCID 67123825, compound

Product 1

HCID 52934125HCID 52934125, compound

Sources & evidence

ORD record
ord-748cbb5e4c9d4f138e44bda5d37a68c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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