Dimethylformamide → 4-(5-{3-[3-(4-Fluorophenyl)prop-1-ynyl]phenyl}tetrazol-2-ylmethyl)benzene-sulfonic acid

HRID 1557538Notes

Reaction equation

HRID 1557538 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10][n:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[OH:23])[cH:18][cH:19]3)[n:12]2)[cH:5][cH:6][cH:7]1.[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cu:126][I:127].[F:34][c:35]1[cH:36][cH:37][c:38]([CH2:41][C:42]#[CH:43])[cH:39][cH:40]1.[Na:24].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[Pd:125].[c:106]1([P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[c:2]1([C:43]#[C:42][CH2:41][c:38]2[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]2)[cH:3][c:4](-[c:8]2[n:9][n:10][n:11]([CH2:13][c:14]3[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[OH:23])[cH:18][cH:19]3)[n:12]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 11776Triphenylphosphine4×HCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81531DiisopropylethylamineHCID 5360545SodiumHCID 105586681-Fluoro-4-prop-2-ynyl-benzeneHCID 865913364-[5-(3-Bromophenyl)tetrazol-2-ylmethyl]benzenesulfonic acid

Product 1

HCID 865913354-(5-{3-[3-(4-Fluorophenyl)prop-1-ynyl]phenyl}tetrazol-2-ylmethyl)benzene-sulfonic acid

Sources & evidence

ORD record
ord-8b78e122762645f084c5bf55025ddfbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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