Acetate → HCID 178524343, compound

HRID 1119099Notes

Reaction equation

HRID 1119099 reaction equation
[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:25](=[CH2:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]1.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][c:12]3[c:13]([Br:24])[cH:14][c:15]([N+:21](=[O:22])[O-:23])[cH:16][c:17]3[c:18]([OH:20])[n:19]2)[cH:5][cH:6][c:7]1[Cl:8].[Pd+2:76].[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][c:12]3[c:13]([CH:26]=[CH:25][c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]4)[cH:14][c:15]([N+:21](=[O:22])[O-:23])[cH:16][c:17]3[c:18]([OH:20])[n:19]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 140984-Vinylbenzoic acidHCID 80271Tri-o-tolylphosphineHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178526426HCID 178526426, compound

Product 1

HCID 178524343HCID 178524343, compound

Sources & evidence

ORD record
ord-cb35c09dd49e4ef9ab7c8dac5e260dbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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