Acetate → N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide

HRID 2331063Notes

Reaction equation

HRID 2331063 reaction equation
[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([O:34][CH3:35])[cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cl:47][c:48]1[cH:49][cH:50][c:51]([C:69]#[N:70])[c:52]([NH:54][C:55](=[O:56])[c:57]2[cH:58][n:59][cH:60][c:61](-[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[cH:62]2)[cH:53]1.[K+:15].[K+:16].[K+:17].[O-:85][C:86]([CH3:87])=[O:88].[O-:89][C:90]([CH3:91])=[O:92].[OH:71][C:72]([CH2:73][C:74]([C:75](=[O:76])[OH:77])([CH2:78][C:79](=[O:80])[OH:81])[OH:82])=[O:83].[P:10]([O-:11])([O-:12])([O-:13])=[O:14].[Pd+2:84].[c:1]1([O:7][B:8]=[O:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:48]2[cH:49][cH:50][c:51]([C:69]#[N:70])[c:52]([NH:54][C:55](=[O:56])[c:57]3[cH:58][n:59][cH:60][c:61](-[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[cH:62]3)[cH:53]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 311Citric AcidHCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 14438906HCID 14438906, compoundHCID 58508508N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide

Product 1

HCID 58508437N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide

Sources & evidence

ORD record
ord-7c6cc80114f442f2aaad92dfcf936177
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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