Acetate → 4-Methoxy-4'-methyldiphenylamine

HRID 2339868Notes

Reaction equation

HRID 2339868 reaction equation
[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[Cl-:52].[I:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1.[NH4+:53].[Na+:23].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd+2:58].[c:24]1([C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[C:32]([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH3:46])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:7][cH:8]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 7813p-ToluidineHCID 312751,4-DioxaneHCID 696764-IodoanisoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 12010824Cy-vBRIDP

Product 1

HCID 114358284-Methoxy-4'-methyldiphenylamine

Sources & evidence

ORD record
ord-bc7c5eac9b9b481a808045301a37b643
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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