Acetate → 2-(3-Methoxy-6-pyridin-4-yl-pyridazin-4-yl)-3-phenyl-1H-indole

HRID 133879Notes

Reaction equation

HRID 133879 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:66][O:67][CH2:68][CH2:69][O:70][CH3:71].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31].[I:1][c:2]1[c:3](-[c:11]2[c:12]([O:23][CH3:24])[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][n:20][cH:21][cH:22]3)[cH:16]2)[nH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[K+:45].[K+:46].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[OH2:72].[OH:32][B:33]([OH:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Pd+2:73].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[c:2]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:3](-[c:11]2[c:12]([O:23][CH3:24])[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][n:20][cH:21][cH:22]3)[cH:16]2)[nH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

12

Reactant 11

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6422Trifluoroacetic acidHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 231029143-Iodo-2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-1H-indole

Product 1

HCID 230924772-(3-Methoxy-6-pyridin-4-yl-pyridazin-4-yl)-3-phenyl-1H-indole

Sources & evidence

ORD record
ord-0914f8b8d7ba4872a1c60d4af7604e02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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