3-Butyn-1-OL → 4-(4-Chloro-2-methoxy-phenyl)-but-3-yn-1-ol

HRID 683402Notes

Reaction equation

HRID 683402 reaction equation
[Br:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][c:5]([Cl:8])[cH:6][cH:7]1.[CH2:11]([CH2:12][C:13]#[CH:14])[OH:15].[CH2:16]1[CH2:17][NH:18][CH2:19][CH2:20]1.[Cu:98][I:99].[cH:21]1[cH:22][cH:23][c:24]([P:25]([Pd:26]([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97]1>>[c:2]1([C:14]#[C:13][CH2:12][CH2:11][OH:15])[c:3]([O:9][CH3:10])[cH:4][c:5]([Cl:8])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 135663-Butyn-1-OLHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 31268PyrrolidineHCID 179848451-Bromo-4-chloro-2-methoxybenzeneHCID 178420554HCID 178420554, compound

Product 1

HCID 591924974-(4-Chloro-2-methoxy-phenyl)-but-3-yn-1-ol

Sources & evidence

ORD record
ord-bb3fb8f5e7734c42bf7c180b5936d0f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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