Acetate → HCID 11158169, compound

HRID 1152406Notes

Reaction equation

HRID 1152406 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([Br:15])[cH:10][cH:11][c:12]([F:14])[cH:13]1)=[O:16].[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][c:46]1[cH:47][c:48]2[cH:49][cH:50][c:51]([O:73][S:74]([C:75]([F:76])([F:77])[F:78])(=[O:79])=[O:80])[c:52]([C:56]([c:57]3[cH:58][cH:59][c:60]([O:63][CH2:64][CH2:65][N:66]4[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]4)[cH:61][cH:62]3)=[O:72])[c:53]2[cH:54][cH:55]1.[CH3:90][C:91]#[N:92].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[Cs+:37].[F-:36].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[Pd+2:81]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9](-[c:51]2[cH:50][cH:49][c:48]3[cH:47][c:46]([O:45][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:55][cH:54][c:53]3[c:52]2[C:56]([c:57]2[cH:58][cH:59][c:60]([O:63][CH2:64][CH2:65][N:66]3[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]3)[cH:61][cH:62]2)=[O:72])[cH:10][cH:11][c:12]([F:14])[cH:13]1)=[O:16]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 75806TricyclohexylphosphineHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57552555Trifluoromethanesulfonic acid 6-benzyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl esterHCID 57552565HCID 57552565, compound

Product 1

HCID 11158169HCID 11158169, compound

Sources & evidence

ORD record
ord-fa68cb95d16f4490ba94d7b00a23d7a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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