Ethanol → 3'-Cyano flavanone

HRID 1137381Notes

Reaction equation

HRID 1137381 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9][cH:10]1.[CH3:44][CH2:45][OH:46].[Na+:21].[Na+:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:47].[OH:11][CH2:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[OH:31][B:32]1[O:33][B-:34]2([OH:43])[O:35][B-:36]([OH:41])([O:37][B:38]([OH:40])[O:39]2)[O:42]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:6]2[O:7][c:16]3[c:15]([cH:20][cH:19][cH:18][cH:17]3)[C:13](=[O:14])[CH2:12]2)[cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 962Water9×HCID 68490alpha-HydroxyacetophenoneHCID 90670m-FormylbenzonitrileHCID 15787661Tetraborate(2-)

Product 1

HCID 545536863'-Cyano flavanone

Sources & evidence

ORD record
ord-f123c428180849c2a1f2f28a1d748e17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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