Potassium Cation → 3-chloro-5-{1-[(3-methyl phenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-4-pyridinecarbonitrile

HRID 1136755Notes

Reaction equation

HRID 1136755 reaction equation
[C:52]([PH+:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH3:11][c:12]1[cH:13][c:14]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][c:24]3[cH:25][c:26]([B:30]4[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]4)[cH:27][cH:28][c:29]32)[cH:15][cH:16][cH:17]1.[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9].[F:47][B-:48]([F:49])([F:50])[F:51].[K+:44].[K+:45].[K+:46].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH2:71].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[Pd:72].[Pd:73]>>[c:2]1(-[c:26]2[cH:25][c:24]3[c:29]([cH:28][cH:27]2)[N:21]([C:19]([CH2:18][c:14]2[cH:13][c:12]([CH3:11])[cH:17][cH:16][cH:15]2)=[O:20])[CH2:22][CH2:23]3)[cH:3][n:4][cH:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9]

Participants

11

Reactant 10

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 23938Palladium2×HCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 4060964Tri-t-butylphosphoniumHCID 111375993,5-Dichloropyridine-4-carbonitrileHCID 668241231-[(3-methylphenyl)acetyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

Product 1

HCID 668238123-chloro-5-{1-[(3-methyl phenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-4-pyridinecarbonitrile

Sources & evidence

ORD record
ord-332214373f334f728adfd62daac2db0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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