Acetate → Tert-butyl 4-phenyl-2-(4-phenylpyridine-2-carboxamido)benzoate

HRID 1115958Notes

Reaction equation

HRID 1115958 reaction equation
[CH3:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[CH3:98][CH2:99][O:100][C:101](=[O:102])[CH3:103].[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][c:50]([C:54](=[O:55])[NH:56][c:57]2[c:58]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[cH:66][cH:67][c:68](-[c:70]3[cH:71][cH:72][cH:73][cH:74][cH:75]3)[cH:69]2)[n:51][cH:52][cH:53]1.[K+:15].[K+:16].[K+:17].[O-:90][C:91]([CH3:92])=[O:93].[O-:94][C:95]([CH3:96])=[O:97].[OH:76][C:77]([CH2:78][C:79]([C:80](=[O:81])[OH:82])([CH2:83][C:84](=[O:85])[OH:86])[OH:87])=[O:88].[P:10]([O-:11])([O-:12])([O-:13])=[O:14].[Pd+2:89].[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][c:50]([C:54](=[O:55])[NH:56][c:57]3[c:58]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[cH:66][cH:67][c:68](-[c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[cH:69]3)[n:51][cH:52][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 58508497Tert-butyl 2-(4-chloropyridine-2-carboxamido)-4-phenylbenzoate

Product 1

HCID 58508724Tert-butyl 4-phenyl-2-(4-phenylpyridine-2-carboxamido)benzoate

Sources & evidence

ORD record
ord-2b652f02e24e4b618a4f1036b2af1b05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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