Citric Acid → HCID 66747182, compound

HRID 1208738Notes

Reaction equation

HRID 1208738 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[H-:8].[N+:10](=[O:11])([O-:12])[c:13]1[c:14]([C:15]#[N:16])[c:17]([N+:21]([O-:22])=[O:23])[cH:18][cH:19][cH:20]1.[Na+:9].[OH2:42].[OH:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[OH:24][C:25]([CH2:26][C:27]([C:28](=[O:29])[OH:30])([CH2:31][C:32](=[O:33])[OH:34])[OH:35])=[O:36]>>[O:1]([CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)[c:17]1[c:14]([C:15]#[N:16])[c:13]([N+:10](=[O:11])[O-:12])[cH:20][cH:19][cH:18]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 923Sodium ionHCID 962WaterHCID 7966CyclohexanolHCID 8028TetrahydrofuranHCID 166653HydrideHCID 520718Dinitrobenzonitrile

Product 1

HCID 66747182HCID 66747182, compound

Sources & evidence

ORD record
ord-e9e94cf8372d4f4bbbb7dfc4f0b75461
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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