Citric Acid → HCID 59464101, compound

HRID 2128266Notes

Reaction equation

HRID 2128266 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:60][OH:61].[Li+:1].[OH-:2].[OH2:54].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47].[n:3]1[cH:4][n:5][c:6]([NH:9][c:10]2[n:11][n:12][c:13]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH:24]4[CH2:25][CH2:26][CH:27]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[CH2:28][CH2:29]4)[cH:22][cH:23]3)[o:14]2)[cH:7][cH:8]1>>[n:3]1[cH:4][n:5][c:6]([NH:9][c:10]2[n:11][n:12][c:13]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH:24]4[CH2:25][CH2:26][CH:27]([CH2:30][C:31](=[O:32])[OH:33])[CH2:28][CH2:29]4)[cH:22][cH:23]3)[o:14]2)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 59464201HCID 59464201, compound

Product 1

HCID 59464101HCID 59464101, compound

Sources & evidence

ORD record
ord-65c360b2eb3f4fb0b2df7bc25d09b787
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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