Citric Acid → HCID 18536345, compound

HRID 672895Notes

Reaction equation

HRID 672895 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][c:20]3[n:21][c:22]4[c:23]([n:24]3[CH2:25][CH2:26][OH:27])[cH:28][cH:29][c:30]([C:32]#[N:33])[cH:31]4)[cH:34][cH:35]2)[CH2:11][CH2:12]1.[CH3:38][I:39].[H-:36].[Na+:37].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[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]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][c:20]3[n:21][c:22]4[c:23]([n:24]3[CH2:25][CH2:26][O:27][CH3:41])[cH:28][cH:29][c:30]([C:32]#[N:33])[cH:31]4)[cH:34][cH:35]2)[CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 18536369HCID 18536369, compound

Product 1

HCID 18536345HCID 18536345, compound

Sources & evidence

ORD record
ord-1992c34aaa8648d79f067f48f2dfbd7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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