Acetate → HCID 44200192, compound

Reaction equation

[C:30]([O-:31])(=[O:32])[CH3:33].[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8][cH:9]1)[n:10]([CH2:19][O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[cH:11][c:12]2[C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18].[Cl:35][CH2:36][Cl:37].[Na+:34].[OH2:27].[OH2:28].[OH2:29].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8][cH:9]1)[nH:10][cH:11][c:12]2[C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18]

Participants

Reactant 6

HCID 175Acetate

HCID 923Sodium Ion

HCID 962Water3×

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 578310411-[2-ethoxy-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one

Product 1

HCID 44200192

Sources & evidence

ORD record: ord-38f5209b805e4bada1ddaf69ba98df62
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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