Dimethylformamide → 2-(4-Phenylbut-1-ynyl)benzo[d]oxazole

HRID 691474Notes

Reaction equation

HRID 691474 reaction equation
[CH2:30]([CH2:31][C:32]#[CH:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2.[Cu:52][I:53].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[Pd:54]([Cl:55])[Cl:56].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[c:2]1([C:33]#[C:32][CH2:31][CH2:30][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine3×HCID 119862-ChlorobenzoxazoleHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 1233604-Phenyl-1-butyne

Product 1

HCID 115650272-(4-Phenylbut-1-ynyl)benzo[d]oxazole

Sources & evidence

ORD record
ord-c5c0920c44cf4fb9b5d74f12362e2074
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…