Acetate → 4-Morpholinobenzonitrile

HRID 1574557Notes

Reaction equation

HRID 1574557 reaction equation
[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH2:10]1[CH2:11][O:12][CH2:13][CH2:14][NH:15]1.[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl-:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[NH4+:51].[Na+:21].[Pd+2:56].[c:22]1([C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[C:30]([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([N:15]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 8083MorpholineHCID 121634-ChlorobenzonitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 12010824Cy-vBRIDP

Product 1

HCID 3948084-Morpholinobenzonitrile

Sources & evidence

ORD record
ord-0126805ec08843d58d9536897114e500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…