Benzoic Acid → Ethyl4-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-benzoate

HRID 1143410Notes

Reaction equation

HRID 1143410 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][c:5]([CH2:20][CH3:21])[c:6]([C:9]2([O:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH2:11]2)[cH:7][cH:8]1.[C:22]([OH:23])(=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH2:31]([CH3:32])[O:33][C:34]([c:35]1[cH:36][cH:37][c:38]([I:41])[cH:39][cH:40]1)=[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>>[C:1](#[C:2][c:38]1[cH:37][cH:36][c:35]([C:34]([O:33][CH2:31][CH3:32])=[O:42])[cH:40][cH:39]1)[c:3]1[cH:4][c:5]([CH2:20][CH3:21])[c:6]([C:9]2([O:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH2:11]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 225689831-Ethynyl-4-(1-benzyloxycyclopropyl)-3-ethyl-benzene

Product 1

HCID 22568992Ethyl4-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-benzoate

Sources & evidence

ORD record
ord-62ad17117c1a4907ab5bd4e0f5c6ca6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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