Acetate → 2-Chloro-8-[4-(dimethyl-phosphinoyl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine

HRID 108865

Reaction equation

HRID 108865 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([cH:11][cH:12][cH:13]2)[n:14][c:15]([Cl:17])[n:16]3)[cH:6][cH:7]1.[C:64](=[O:65])([O-:66])[O-:67].[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH2:79]1[O:80][CH2:81][CH2:82][O:83][CH2:84]1.[CH3:18][PH:19](=[O:20])[CH3:21].[CH3:22][C:23]1([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]([P:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]2[O:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][c:50]2[P:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cs+:68].[Cs+:69].[Pd+2:74]>>[c:2]1([P:19]([CH3:18])(=[O:20])[CH3:21])[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([cH:11][cH:12][cH:13]2)[n:14][c:15]([Cl:17])[n:16]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 674814248-(4-Bromo-phenyl)-2-chloro-[1,2,4]triazolo[1,5-a]pyridineHCID 178503022methylphosphonoylmethane

Product 1

HCID 674814912-Chloro-8-[4-(dimethyl-phosphinoyl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine

Sources & evidence

ORD record
ord-7b4a21fda9df4e099bda296c8c039f09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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