Acetate → 1-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone

HRID 288012Notes

Reaction equation

HRID 288012 reaction equation
[Br:1][c:2]1[c:3]([N:11]([C:12]([CH3:13])=[O:14])[CH2:15][C:16](=[CH2:17])[CH3:18])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:34]([N+:35]([CH2:36][CH3:37])([CH2:38][CH3:39])[CH2:40][CH3:41])[CH3:42].[CH3:24][C:25](=[O:26])[O-:27].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH:19]([O-:20])=[O:21].[Cl-:33].[Na+:22].[Na+:23].[OH2:43].[Pd+2:52]>>[c:2]12[c:3]([cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1)[N:11]([C:12]([CH3:13])=[O:14])[CH2:15][C:16]2([CH3:17])[CH3:18]

Participants

10

Reactant 9

HCID 175Acetate3×HCID 283FormateHCID 312ChlorideHCID 923Sodium ion2×HCID 962WaterHCID 5413TetraethylammoniumHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21959573N-(2-bromo-5-nitrophenyl)-N-(2-methylprop-2-en-1-yl)acetamide

Product 1

HCID 161274181-(3,3-Dimethyl-6-nitroindolin-1-yl)ethanone

Sources & evidence

ORD record
ord-1ccae3118f51422cb8c409fa451280d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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