Tetrahydrofuran → [4-(3,3-Dimethyl-but-1-ynyl)-phenyl]-carbamic acid tert-butyl ester

HRID 291408Notes

Reaction equation

HRID 291408 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([I:14])[cH:12][cH:13]1)=[O:15].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:23][C:24]([C:25]#[CH:26])([CH3:27])[CH3:28].[Cu:75][I:76].[Pd:34]([Cl:35])[Cl:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]([C:26]#[C:25][C:24]([CH3:23])([CH3:27])[CH3:28])[cH:12][cH:13]1)=[O:15]

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 135123,3-Dimethyl-1-butyneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 2773612tert-butyl N-(4-iodophenyl)carbamate

Product 1

HCID 54041145[4-(3,3-Dimethyl-but-1-ynyl)-phenyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-47841581bc8449fcb46aa12bcfa6dc96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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