Water → HCID 22221246, compound

HRID 1136998Notes

Reaction equation

HRID 1136998 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:13][CH2:14][CH2:15][OH:16])[cH:10][n:11][o:12]2)[cH:6][cH:7]1.[C-:28]#[N:29].[CH2:22]1[O:23][CH2:24][CH2:25][O:26][CH2:27]1.[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[Cu:17]([C:18]#[N:19])[C:20]#[N:21].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[OH2:95].[Pd:39].[Pd:40]>>[c:2]1([C:18]#[N:19])[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:13][CH2:14][CH2:15][OH:16])[cH:10][n:11][o:12]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 5413TetraethylammoniumHCID 5975CyanideHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 22221424HCID 22221424, compoundHCID 178418260HCID 178418260, compound

Product 1

HCID 22221246HCID 22221246, compound

Sources & evidence

ORD record
ord-fdb4a3d224574dff9f9ae51f488e815b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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