Triethylamine → 3-[4-(4-Cyclopropyl-8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acrylic acid ethyl ester

HRID 143822Notes

Reaction equation

HRID 143822 reaction equation
[CH2:19]([CH3:20])[O:21][C:22]([CH:23]=[CH:24][c:25]1[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]1)=[O:32].[CH2:76]([N:77]([CH2:78][CH3:79])[CH2:80][CH3:81])[CH3:82].[CH:1]1([c:4]2[cH:5][c:6]([C:17]#[CH:18])[cH:7][c:8]3[c:13]2[C:12](=[O:14])[CH2:11][CH2:10][C:9]3([CH3:15])[CH3:16])[CH2:2][CH2:3]1.[Cu:33][I:34].[Pd:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]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>>[CH:1]1([c:4]2[cH:5][c:6]([C:17]#[C:18][c:28]3[cH:27][cH:26][c:25]([CH:24]=[CH:23][C:22]([O:21][CH2:19][CH3:20])=[O:32])[cH:30][cH:29]3)[cH:7][c:8]3[c:13]2[C:12](=[O:14])[CH2:11][CH2:10][C:9]3([CH3:15])[CH3:16])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 211072418-Cyclopropyl-4,4-dimethyl-6-ethynyl-1-tetraloneHCID 541932622-Propenoic acid, 3-(4-iodophenyl)-, ethyl ester

Product 1

HCID 690726533-[4-(4-Cyclopropyl-8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acrylic acid ethyl ester

Sources & evidence

ORD record
ord-b354e2b95b4a4c9bbca5ea953c83dfa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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