Acetate → HCID 91086775, compound

HRID 1115709Notes

Reaction equation

HRID 1115709 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]1)=[O:26].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][C:63]#[N:64].[CH:27](=[CH2:28])[S:29](=[O:30])(=[O:31])[CH3:32].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[Pd+2:65].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[CH3:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][c:22]([CH:28]=[CH:27][S:29](=[O:30])(=[O:31])[CH3:32])[cH:23][cH:24]1)=[O:26]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 19354Methyl vinyl sulfoneHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 68620118HCID 68620118, compound

Product 1

HCID 91086775HCID 91086775, compound

Sources & evidence

ORD record
ord-4854c319f6264fb7a7bf339abdf36178
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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