Water → 1-ethyl-2-(4-fluorophenylethynyl)-6-methoxy-1H-indole-3-carbonitrile

HRID 2152616Notes

Reaction equation

HRID 2152616 reaction equation
[CH2:1]([CH3:2])[n:3]1[c:4]([I:16])[c:5]([C:14]#[N:15])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cu:80][I:81].[F:17][c:18]1[cH:19][cH:20][c:21]([C:24]#[CH:25])[cH:22][cH:23]1.[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH2:38].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH2:1]([CH3:2])[n:3]1[c:4]([C:25]#[C:24][c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)[c:5]([C:14]#[N:15])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5226271-Ethynyl-4-fluorobenzeneHCID 594256441-ethyl-2-iodo-6-methoxy-1H-indole-3-carbonitrile

Product 1

HCID 116597201-ethyl-2-(4-fluorophenylethynyl)-6-methoxy-1H-indole-3-carbonitrile

Sources & evidence

ORD record
ord-1cdcca5bcab64b87a97848a0ab7893b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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