Sodium ion → Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester

HRID 2135399Notes

Reaction equation

HRID 2135399 reaction equation
[Br:53][C:54]([C:55](=[O:56])[O:57][CH2:58][CH3:59])([CH3:60])[CH3:61].[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9]([CH3:10])([CH3:11])[O:21][c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[n+:12]([O-:13])[cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:30][C:31]1([CH3:32])[CH2:33][CH:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][n:40]2)[c:41]2[cH:42][c:43]([C:44]([OH:45])=[O:46])[cH:47][cH:48][c:49]2[O:50]1.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[H-:51].[Na+:52]>>[O:21]([c:22]1[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]1)[C:54]([C:55](=[O:56])[O:57][CH2:58][CH3:59])([CH3:60])[CH3:61]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 11745Propanoic acid, 2-bromo-2-methyl-, ethyl esterHCID 166653HydrideHCID 150389033,4-dihydro-2,2-dimethyl-4-(2-pyridyl)-2H-1-benzopyran-6-carboxylic acidHCID 543936855-benzyloxy-2-[3-(4-cyanophenoxy)-3-methyl-1-butenyl]pyridine N-oxide

Product 1

HCID 205808Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester

Sources & evidence

ORD record
ord-16ba04a5a79a42869756d8b7653370a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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