Tetrahydrofuran → 3-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide

HRID 96719

Reaction equation

HRID 96719 reaction equation
[Br:13][c:14]1[cH:15][c:16]([S:20](=[O:21])(=[O:22])[NH2:23])[cH:17][cH:18][cH:19]1.[CH2:1]([C:2]#[CH:3])[O:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][Br:12].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cu:96][I:97].[Pd:55]([Cl:56])[Cl:57].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH2:1]([C:2]#[C:3][c:14]1[cH:15][c:16]([S:20](=[O:21])(=[O:22])[NH2:23])[cH:17][cH:18][cH:19]1)[O:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][Br:12]

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27347653-Bromobenzene-1-sulfonamideHCID 218955401-Bromo-7-(prop-2-yn-1-yloxy)heptane

Product 1

HCID 218953853-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide

Sources & evidence

ORD record
ord-86c7cf092e644c47b38d6bf26b1820ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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