Acetate → HCID 23080009, compound

HRID 301022Notes

Reaction equation

HRID 301022 reaction equation
[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:7][C:8]([CH3:9])([O-:10])[CH3:11].[F:20][C:21]([F:22])([F:23])[S:24]([O:25][c:26]1[cH:27][cH:28][c:29]([C:36]#[N:37])[c:30]2[c:35]1[CH2:34][CH2:33][CH2:32][CH2:31]2)(=[O:38])=[O:39].[Na+:12].[OH2:49].[Pd+2:44]>>[CH2:1]1[CH2:2][CH2:3][N:4]([c:26]2[cH:27][cH:28][c:29]([C:36]#[N:37])[c:30]3[c:35]2[CH2:34][CH2:33][CH2:32][CH2:31]3)[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8082PiperidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 23079970HCID 23079970, compound

Product 1

HCID 23080009HCID 23080009, compound

Sources & evidence

ORD record
ord-8c2a6300929c46438ef571d29345e63e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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