Acetate → Methyl 4'-(2-(4-cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

HRID 291137Notes

Reaction equation

HRID 291137 reaction equation
[C:86](=[O:87])([O-:88])[O-:89].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Cl:1][c:2]1[n:3][c:4]([O:12][c:13]2[c:14]([CH3:30])[cH:15][c:16](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][cH:25]3)[cH:17][c:18]2[CH3:19])[c:5]2[n:6][cH:7][n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:90].[Cs+:91].[NH2:31][c:32]1[cH:33][cH:34][c:35]([C:36]#[N:37])[cH:38][cH:39]1.[O-:100][C:101]([CH3:102])=[O:103].[O-:104][C:105]([CH3:106])=[O:107].[Pd+2:99].[cH:40]1[cH:41][cH:42][c:43]([P:44]([c:45]2[cH:46][cH:47][c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[c:54]2-[c:55]2[c:56]3[c:57]([cH:58][cH:59][cH:60][cH:61]3)[cH:62][cH:63][c:64]2[P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85]1>>[c:2]1([NH:31][c:32]2[cH:33][cH:34][c:35]([C:36]#[N:37])[cH:38][cH:39]2)[n:3][c:4]([O:12][c:13]2[c:14]([CH3:30])[cH:15][c:16](-[c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][cH:25]3)[cH:17][c:18]2[CH3:19])[c:5]2[n:6][cH:7][n:8]([CH3:11])[c:9]2[n:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 133964-AminobenzonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 57747321Methyl 4'-(2-chloro-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

Product 1

HCID 57747379Methyl 4'-(2-(4-cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

Sources & evidence

ORD record
ord-217f0b169449449fad61ddb0132dd02d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…