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

HRID 2123809Notes

Reaction equation

HRID 2123809 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:49]([O-:50])(=[O:51])[CH3:52].[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:24][C:25](=[O:26])[O-:27].[CH:19]([O-:20])=[O:21].[Cl-:29].[Na+:22].[Na+:23].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:28].[Pd+2:48]>>[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-ee369b8757d64a8aa934caced00795bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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