Acetate → HCID 69144654, compound

HRID 106879Notes

Reaction equation

HRID 106879 reaction equation
[CH2:2]([CH:3]=[CH2:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[n:12][cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:36]1([P:37]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH:49]2[CH2:40][CH2:39][CH2:38][CH2:53][CH2:54]2)[CH2:47][CH2:48][CH2:50][CH2:51][CH2:52]1.[ClH:1].[K+:33].[K+:34].[K+:35].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[OH2:55].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[Pd+2:63]>>[CH2:2]([CH:3]=[CH2:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[n:12][cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([CH:53]4[CH2:49][CH2:54]4)[cH:25][cH:26]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 54674945HCID 54674945, compound

Product 1

HCID 69144654HCID 69144654, compound

Sources & evidence

ORD record
ord-9d8577f0655a41dfa99e4e4ed4f9fe36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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