Acetate → 4-(4-Methyl-3-nitrophenyl)morpholine

HRID 2343295Notes

Reaction equation

HRID 2343295 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH3:8])[cH:6][cH:7]1.[C:18](=[O:19])([O-:20])[O-:21].[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:42])([CH3:43])[CH3:44].[C:52]([O-:53])(=[O:54])[CH3:55].[C:56]([O-:57])(=[O:58])[CH3:59].[CH2:12]1[CH2:13][O:14][CH2:15][CH2:16][NH:17]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cs+:22].[Cs+:23].[Pd+2:60]>>[c:2]1([N:17]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH3:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 8083MorpholineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1235464-Bromo-2-nitrotolueneHCID 27342152-(Di-tert-butylphosphino)biphenyl

Product 1

HCID 219558884-(4-Methyl-3-nitrophenyl)morpholine

Sources & evidence

ORD record
ord-5a74d500b4f84e67b372a1cee109cec5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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