Citric Acid → HCID 54500596, compound

HRID 1214491Notes

Reaction equation

HRID 1214491 reaction equation
[Al+3:35].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:1][C:2]([C:3]#[C:4][C:5]#[C:6][CH2:7][CH:8]([C:9](=[O:10])[OH:11])[CH2:12][c:13]1[cH:14][c:15]([CH:19]=[CH:20][c:21]2[cH:22][c:23](-[c:27]3[cH:28][s:29][cH:30][cH:31]3)[cH:24][cH:25][cH:26]2)[cH:16][cH:17][cH:18]1)([CH3:32])[CH3:33].[H-:34].[H-:37].[H-:38].[H-:39].[Li+:36].[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]>>[CH3:1][C:2]([C:3]#[C:4][C:5]#[C:6][CH2:7][CH:8]([CH2:9][OH:10])[CH2:12][c:13]1[cH:14][c:15]([CH:19]=[CH:20][c:21]2[cH:22][c:23](-[c:27]3[cH:28][s:29][cH:30][cH:31]3)[cH:24][cH:25][cH:26]2)[cH:16][cH:17][cH:18]1)([CH3:32])[CH3:33]

Participants

7

Reactant 6

HCID 311Citric AcidHCID 3283Diethyl EtherHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 53978709HCID 53978709, compound

Product 1

HCID 54500596HCID 54500596, compound

Sources & evidence

ORD record
ord-b0afd7ae8afe48538f6993a22757b03c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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