Diisopropylamine → HCID 91088840, compound

HRID 1146539Notes

Reaction equation

HRID 1146539 reaction equation
[CH2:1]([C:2]#[CH:3])[n:4]1[n:5][cH:6][cH:7][cH:8]1.[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[Cu:53][I:54].[I:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[CH:24][CH2:25][O:26][c:27]2[cH:28][c:29]([CH3:39])[c:30]([O:31][CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[c:40]2[cH:41][cH:42][c:43]([S:46][CH3:47])[cH:44][cH:45]2)[cH:21][cH:22]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[Pd:55]([Cl:56])[Cl:57].[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:17]1[cH:18][cH:19][c:20]([C:23](=[CH:24][CH2:25][O:26][c:27]2[cH:28][c:29]([CH3:39])[c:30]([O:31][CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[c:40]2[cH:41][cH:42][c:43]([S:46][CH3:47])[cH:44][cH:45]2)[cH:21][cH:22]1)[n:4]1[n:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 117685231-(prop-2-yn-1-yl)-1H-pyrazoleHCID 90798870Methyl 2-[4-[3-(4-iodophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoxy]-2-methylphenoxy]acetate

Product 1

HCID 91088840HCID 91088840, compound

Sources & evidence

ORD record
ord-081928685abc465d9953127df8591cce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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