Acetate → N-[3-(4-Cyano-2-methyl-phenyl)-1-isopropyl-1H-indol-6-yl]-methanesulfonamide

HRID 2124274Notes

Reaction equation

HRID 2124274 reaction equation
[Br:27][c:28]1[c:29]([CH3:36])[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1.[CH2:82]1[O:83][CH2:84][CH2:85][O:86][CH2:87]1.[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[c:7]2[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][c:12]12.[K+:70].[K+:71].[K+:72].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd+2:73].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[N:57]([CH3:58])[CH3:59])[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6](-[c:28]2[c:29]([CH3:36])[cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]2)[c:7]2[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][c:12]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27349392'-(diphenylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amineHCID 27374944-Bromo-3-methylbenzonitrileHCID 57442204N-(1-Isopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-6-yl)methanesulfonamide

Product 1

HCID 24739668N-[3-(4-Cyano-2-methyl-phenyl)-1-isopropyl-1H-indol-6-yl]-methanesulfonamide

Sources & evidence

ORD record
ord-aceb258140a348c3a52d7d70755d3bd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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