Diglyme → HCID 10162554, compound

HRID 1126569Notes

Reaction equation

HRID 1126569 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[C:61]([O:62][CH3:63])([CH3:64])([CH3:65])[CH3:66].[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([CH2:34][C:35]#[CH:36])[CH2:32][CH2:33]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cs+:41].[Cs+:42].[Cu:108][I:109].[Pd:67]([Cl:68])[Cl:69].[c:70]1([P:71]([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1([C:36]#[C:35][CH2:34][N:31]2[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]2)[cH:3][cH:4][c:5]([O:25][CH3:26])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1

Participants

11

Reactant 10

HCID 8150DiglymeHCID 11776Triphenylphosphine2×HCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81531DiisopropylethylamineHCID 104967Cesium cation2×HCID 135140911-Methyl-4-(prop-2-yn-1-yl)piperazineHCID 22349575(5-Bromo-2-methoxy-phenyl)-[4-(2,4-difluoro-phenylamino)-phenyl]-methanone

Product 1

HCID 10162554HCID 10162554, compound

Sources & evidence

ORD record
ord-91b71d455ecf4400a8078b3325eeac4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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