Toluene → HCID 67482401, compound

HRID 1119482Notes

Reaction equation

HRID 1119482 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([NH:8][C:9]([CH:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:27])[c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)=[O:28])[n:6][cH:7]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cu:91][I:92].[OH:38][CH2:39][CH2:40][C:41]#[CH:42].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[c:2]1([C:42]#[C:41][CH2:40][CH2:39][OH:38])[n:3][cH:4][c:5]([NH:8][C:9]([CH:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][c:19]([Cl:27])[c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)=[O:28])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 11776Triphenylphosphine2×HCID 135663-Butyn-1-OLHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81531DiisopropylethylamineHCID 21897386N-(5-bromo-pyrazin-2-yl)-2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionamide

Product 1

HCID 67482401HCID 67482401, compound

Sources & evidence

ORD record
ord-70fd43b17d5b4c52a01b4e8476404f5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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