Potassium Cation → Icotinib

HRID 166103Notes

Reaction equation

HRID 166103 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[c:10]3[cH:11][c:12]4[c:13]([cH:14][c:15]3[n:16][cH:17][n:18]2)[O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28]4)[cH:5][cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:29][Si:30]([CH3:31])([CH3:32])[C:33]#[CH:34].[Cu:123][I:124].[K+:39].[K+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[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:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1([C:33]#[CH:34])[cH:3][c:4]([NH:8][c:9]2[c:10]3[cH:11][c:12]4[c:13]([cH:14][c:15]3[n:16][cH:17][n:18]2)[O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28]4)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 10216910HCID 10216910, compound

Product 1

HCID 22024915Icotinib

Sources & evidence

ORD record
ord-24ad53c07e6546a8ad9d02ffdc89e5a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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