Acetate → HCID 59540666, compound

HRID 1553877Notes

Reaction equation

[C:41]([O-:42])(=[O:43])[CH3:44].[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][n:7]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][c:16]([O:24][CH3:25])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]3)[n:12][c:13]12)([CH2:34][CH:35]=[CH2:36])[CH3:37].[Cl:46][CH2:47][Cl:48].[Na+:45].[OH2:38].[OH2:39].[OH2:40].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][nH:7][c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][c:16]([O:24][CH3:25])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]3)[n:12][c:13]12)([CH2:34][CH:35]=[CH2:36])[CH3:37]

Participants

Reactant 6

HCID 175Acetate

HCID 923Sodium ion

HCID 962Water3×

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 595408992,2-dimethyl-1-[2-(3,4,5-trimethoxy-phenyl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-pent-4-en-1-one

Product 1

HCID 59540666HCID 59540666, compound

Sources & evidence

ORD record: ord-9aaa88d79e3245fca2d001f00de11fbe
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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