Citric Acid → HCID 18386587, compound

HRID 1235467Notes

Reaction equation

HRID 1235467 reaction equation
[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10](-[c:28]2[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]2)[n:11](-[c:13]2[n:14][c:15]([NH:19][CH:20]([CH3:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][cH:17][cH:18]2)[cH:12]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][OH:39].[Li+:2].[OH-:1].[OH2:53].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[O:5]=[C:6]([OH:7])[c:8]1[n:9][c:10](-[c:28]2[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]2)[n:11](-[c:13]2[n:14][c:15]([NH:19][CH:20]([CH3:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][cH:17][cH:18]2)[cH:12]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 18338456HCID 18338456, compound

Product 1

HCID 18386587HCID 18386587, compound

Sources & evidence

ORD record
ord-ff6329958e064e28b86a2cca2185d058
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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