Acetate → N-[4-({3-Cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)-3,5-difluorophenyl]acetamide

HRID 1206893Notes

Reaction equation

HRID 1206893 reaction equation
[Br:1][c:2]1[cH:3][n:4]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]2)[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:23])[cH:14][c:15]([NH:19][C:20]([CH3:21])=[O:22])[cH:16][c:17]3[F:18])[c:10]12.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH:34]1([B:37]([OH:38])[OH:39])[CH2:35][CH2:36]1.[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[K+:64].[K+:65].[K+:66].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[OH2:74].[P:59]([O-:60])([O-:61])([O-:62])=[O:63].[Pd+2:75]>>[c:2]1([CH:34]2[CH2:35][CH2:36]2)[cH:3][n:4]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]2)[c:5]2[n:6][cH:7][cH:8][c:9]([O:11][c:12]3[c:13]([F:23])[cH:14][c:15]([NH:19][C:20]([CH3:21])=[O:22])[cH:16][c:17]3[F:18])[c:10]12

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 59741006N-[4-({3-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)-3,5-difluorophenyl]acetamide

Product 1

HCID 59741001N-[4-({3-Cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}oxy)-3,5-difluorophenyl]acetamide

Sources & evidence

ORD record
ord-e621d716b7484187b91353fa2791de69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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