Acetate → HCID 17864574, compound

HRID 310565Notes

Reaction equation

HRID 310565 reaction equation
[Br:2][c:3]1[c:4]([N+:22](=[O:23])[O-:24])[cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]3)[n:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:25][C:26]([C:27]#[CH:28])([CH3:29])[N:30]1[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:64][S:65]([CH3:66])=[O:67].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[ClH:1].[Cu:68]([Cl:69])[Cl:70].[NH3:63].[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[Pd+2:71].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:3]1([C:28]#[C:27][C:26]([CH3:25])([CH3:29])[N:30]2[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]2)[c:4]([N+:22](=[O:23])[O-:24])[cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]3)[n:8][cH:9][n:10][c:11]2[cH:12]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 24014Cupric ChlorideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 17864581HCID 17864581, compoundHCID 22354399HCID 22354399, compound

Product 1

HCID 17864574HCID 17864574, compound

Sources & evidence

ORD record
ord-9bf9c187475f4e1d8a706216e0f84ee7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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