Dimethylformamide → [4-[3-[3-Acetyloxy-3-(4-fluorophenyl)propyl]-1-[4-[3-[methyl(methylsulfonyl)amino]prop-1-ynyl]phenyl]-4-oxoazetidin-2-yl]phenyl] acetate

HRID 1121622Notes

Reaction equation

HRID 1121622 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]([c:30]3[cH:31][cH:32][c:33]([I:36])[cH:34][cH:35]3)[C:13](=[O:29])[CH:14]2[CH2:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[O:25][C:26]([CH3:27])=[O:28])[cH:9][cH:10]1.[CH3:37][N:38]([S:39](=[O:40])(=[O:41])[CH3:42])[CH2:43][C:44]#[CH:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cu:99][I:100].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[Pd:58]([Cl:59])[Cl:60].[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]([c:30]3[cH:31][cH:32][c:33]([C:45]#[C:44][CH2:43][N:38]([CH3:37])[S:39](=[O:40])(=[O:41])[CH3:42])[cH:34][cH:35]3)[C:13](=[O:29])[CH:14]2[CH2:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[O:25][C:26]([CH3:27])=[O:28])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 14025443N-Methyl-N-prop-2-yn-1-ylmethanesulfonamideHCID 72264959[4-[3-[3-Acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-iodophenyl)-4-oxoazetidin-2-yl]phenyl] acetate

Product 1

HCID 72263434[4-[3-[3-Acetyloxy-3-(4-fluorophenyl)propyl]-1-[4-[3-[methyl(methylsulfonyl)amino]prop-1-ynyl]phenyl]-4-oxoazetidin-2-yl]phenyl] acetate

Sources & evidence

ORD record
ord-fc048105f99d4f0b8ab2d336d4105456
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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