Cyanide → HCID 68701183, compound

HRID 2160295Notes

Reaction equation

HRID 2160295 reaction equation
[C-:87]#[N:88].[C-:90]#[N:91].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:23]([CH3:24])[CH3:25])[o:10][c:11]3[c:12]4[c:17]([cH:18][cH:19][c:20]3[c:21]2=[O:22])[NH:16][CH2:15][CH2:14][O:13]4)[cH:6][cH:7]1.[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Pd:31].[Pd:32].[Zn+2:89]>>[c:2]1([C:26]#[N:27])[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:23]([CH3:24])[CH3:25])[o:10][c:11]3[c:12]4[c:17]([cH:18][cH:19][c:20]3[c:21]2=[O:22])[NH:16][CH2:15][CH2:14][O:13]4)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 23938Palladium2×HCID 32051Zinc(2+)HCID 95417Dibenzylidene acetone3×HCID 167498117-(4-Chlorophenyl)-6-isopropyl-2,3-dihydro-1H-1-aza-4,5-dioxa-phenanthren-8-one

Product 1

HCID 68701183HCID 68701183, compound

Sources & evidence

ORD record
ord-902eeb5ebd524febb391d735ef81c7cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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