Sodium ion → 6-cyano-3,4-dihydro-2,2-dimethyl-4-(2-hydroxycyclopentan-1-yl)-2H-1,4-benzoxazine

HRID 300863

Reaction equation

HRID 300863 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:14]1)[NH:8][CH2:9][C:10]([CH3:12])([CH3:13])[O:11]2.[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH:17]12[CH:18]([CH2:19][CH2:20][CH2:21]1)[O:22]2.[H-:15].[Na+:16].[OH2:28]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:14]1)[N:8]([CH:17]1[CH:18]([OH:22])[CH2:19][CH2:20][CH2:21]1)[CH2:9][C:10]([CH3:12])([CH3:13])[O:11]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 92446-Oxabicyclo[3.1.0]hexaneHCID 166653HydrideHCID 105356226-cyano-3,4-dihydro-2,2-dimethyl-2H-1,4-benzoxazine

Product 1

HCID 199345646-cyano-3,4-dihydro-2,2-dimethyl-4-(2-hydroxycyclopentan-1-yl)-2H-1,4-benzoxazine

Sources & evidence

ORD record
ord-de1299f4e15e4637ae31aa3257446653
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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