Acetate → HCID 10142490, compound

HRID 1209360Notes

Reaction equation

HRID 1209360 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][c:15]3[NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[c:22]2-[c:23]2[n:24][c:25]([NH:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[n:26][cH:27][cH:28]2)[cH:5][cH:6][cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[K+:48].[K+:49].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:83].[OH:35][B:36]([OH:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Pd+2:74].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][c:15]3[NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[c:22]2-[c:23]2[n:24][c:25]([NH:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[n:26][cH:27][cH:28]2)[cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 10142612HCID 10142612, compound

Product 1

HCID 10142490HCID 10142490, compound

Sources & evidence

ORD record
ord-be6db6c6c98b45d59836e5bdf21b51bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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