Ammonia → HCID 86631560, compound

HRID 207954Notes

Reaction equation

HRID 207954 reaction equation
[C-:35]#[N:36].[C-:38]#[N:39].[CH3:29][N:30]([CH3:31])[C:32](=[O:33])[CH3:34].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:22]([F:23])([F:24])[F:25])[CH2:10][C:11]([c:14]3[cH:15][n:16][c:17]([Cl:21])[c:18]([Cl:20])[cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[NH3:27].[OH2:26].[OH2:28].[Pd:40].[Zn+2:37].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:22]([F:23])([F:24])[F:25])[CH2:10][C:11]([c:14]3[cH:15][n:16][c:17]([C:29]#[N:30])[c:18]([Cl:20])[cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 962Water2×HCID 5975Cyanide2×HCID 11776Triphenylphosphine4×HCID 23938PalladiumHCID 31374DimethylacetamideHCID 32051Zinc(2+)HCID 71615482HCID 71615482, compound

Product 1

HCID 86631560HCID 86631560, compound

Sources & evidence

ORD record
ord-da1ace83b67f4fb7a0e6d9172a587322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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