Triethylamine → Methyl{4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenylethynyl]-phenyl}-acetate

HRID 1566901Notes

Reaction equation

HRID 1566901 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]1([c:12]2[cH:13][cH:14][c:15]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:24][cH:25]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1.[CH3:31][CH:32]([c:33]1[cH:34][cH:35][c:36]([I:37])[cH:38][cH:39]1)[C:40]([O-:41])=[O:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cu:50][I:51].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]1([c:12]2[c:13]([CH3:31])[cH:14][c:15]([C:18]#[C:19][c:20]3[cH:21][cH:22][c:23]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:24][cH:25]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 20289262HCID 20289262, compoundHCID 86585923Methyl{4-[4-(1-benzyloxycyclopropyl)-phenylethynyl]-phenyl}-acetate

Product 1

HCID 86585924Methyl{4-[4-(1-benzyloxycyclopropyl)-3-methyl-phenylethynyl]-phenyl}-acetate

Sources & evidence

ORD record
ord-491edeb1dacd4c7a926d204948556bd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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