Triethylamine → Ethyl4-[4-(1-isopropoxycyclopropyl)-phenylethynyl]-benzoate

HRID 165415Notes

Reaction equation

HRID 165415 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:9]2([O:12][CH:13]([CH3:14])[CH3:15])[CH2:10][CH2:11]2)[cH:7][cH:8]1.[CH2:16]([CH3:17])[O:18][C:19]([c:20]1[cH:21][cH:22][c:23]([I:26])[cH:24][cH:25]1)=[O:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cu:35][I:36].[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[C:1](#[C:2][c:23]1[cH:22][cH:21][c:20]([C:19]([O:18][CH2:16][CH3:17])=[O:27])[cH:25][cH:24]1)[c:3]1[cH:4][cH:5][c:6]([C:9]2([O:12][CH:13]([CH3:14])[CH3:15])[CH2:10][CH2:11]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 225688581-Ethynyl-4-(1-isopropoxycyclopropyl)-benzene

Product 1

HCID 22568976Ethyl4-[4-(1-isopropoxycyclopropyl)-phenylethynyl]-benzoate

Sources & evidence

ORD record
ord-2297dac80a8e43c1804389bf280b852f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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