Trifluoroacetic acid → HCID 57905901, compound

HRID 160690Notes

Reaction equation

HRID 160690 reaction equation
[Br:26][c:27]1[cH:28][c:29]([C:30](=[O:31])[N:32]([CH3:33])[CH3:34])[cH:35][c:36]([I:38])[cH:37]1.[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([O:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17][c:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]#[CH:25].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[Cu:51][I:52].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([O:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17][c:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]#[C:25][c:36]1[cH:35][c:29]([C:30](=[O:31])[N:32]([CH3:33])[CH3:34])[cH:28][c:27]([Br:26])[cH:37]1

Participants

8

Reactant 7

HCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 57586440HCID 57586440, compoundHCID 57905910HCID 57905910, compound

Product 1

HCID 57905901HCID 57905901, compound

Sources & evidence

ORD record
ord-c66ed7b708ac4424a7e5117d78de74ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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