Water → HCID 57656294, compound

HRID 1224071Notes

Reaction equation

HRID 1224071 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]([C:38]#[CH:39])([CH3:40])[CH3:41].[Cu:103][I:104].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:105].[Pd:47].[Pd:48].[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[c:2]1([C:39]#[C:38][C:37]([CH3:36])([CH3:40])[CH3:41])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 12162Benzonitrile, 4-bromo-HCID 135123,3-Dimethyl-1-butyneHCID 23938Palladium2×HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 95417Dibenzylidene acetone3×

Product 1

HCID 57656294HCID 57656294, compound

Sources & evidence

ORD record
ord-45eb326627e94fbd81f12ad8dcfddf15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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