Acetate → HCID 76575041, compound

HRID 151458Notes

Reaction equation

HRID 151458 reaction equation
[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH2:38].[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9](-[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:10](=[O:22])[n:11]([CH2:13][c:14]3[c:15]([C:20]#[N:21])[cH:16][cH:17][cH:18][cH:19]3)[cH:12]2)[cH:7]1.[Na+:44].[Pd+2:62]>>[c:2]1([NH:38][CH:31]([CH3:30])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9](-[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:10](=[O:22])[n:11]([CH2:13][c:14]3[c:15]([C:20]#[N:21])[cH:16][cH:17][cH:18][cH:19]3)[cH:12]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 74081-PhenethylamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 23020386HCID 23020386, compound

Product 1

HCID 76575041HCID 76575041, compound

Sources & evidence

ORD record
ord-e5695392d266484d85dfd7c5115a91f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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