Dimethylformamide → 3-[(4-acetyl-1H-pyrrol-2-yl)methylidene]-5-fluoro-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-1H-indol-2-one

HRID 171058

Reaction equation

HRID 171058 reaction equation
[C:10]([CH3:11])(=[O:12])[c:13]1[cH:14][c:15]([CH:18]=[C:19]2[C:20](=[O:30])[NH:21][c:22]3[cH:23][cH:24][c:25]([F:29])[c:26]([I:28])[c:27]32)[nH:16][cH:17]1.[C:1](#[CH:2])[C:3]1([OH:9])[CH2:4][CH2:5][O:6][CH2:7][CH2:8]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cu:31][I:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[C:1](#[C:2][c:26]1[c:25]([F:29])[cH:24][cH:23][c:22]2[c:27]1[C:19](=[CH:18][c:15]1[cH:14][c:13]([C:10]([CH3:11])=[O:12])[cH:17][nH:16]1)[C:20](=[O:30])[NH:21]2)[C:3]1([OH:9])[CH2:4][CH2:5][O:6][CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 155504854-Ethynyloxan-4-olHCID 542418723-[(4-acetyl-1H-pyrrol-2-yl)methylidene]-5-fluoro-4-iodo-1H-indol-2-one

Product 1

HCID 545640213-[(4-acetyl-1H-pyrrol-2-yl)methylidene]-5-fluoro-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-1H-indol-2-one

Sources & evidence

ORD record
ord-7f58d6c95db24aad935847925217d448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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