Acetate → [3,4-Diacetyloxy-5-[2-chloro-6-(4-chloro-2-fluoroanilino)purin-9-yl]oxolan-2-yl]methyl acetate

HRID 162045Notes

Reaction equation

HRID 162045 reaction equation
[C:78](=[O:79])([O-:80])[O-:81].[C:91]([O-:92])(=[O:93])[CH3:94].[C:96]([O-:97])(=[O:98])[CH3:99].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Cl:1][c:2]1[n:3][c:4]([Cl:29])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][C:14]([CH3:15])=[O:16])[CH:17]([O:18][C:19]([CH3:20])=[O:21])[CH:22]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[O:23]3)[c:9]2[n:10]1.[Cl:30][c:31]1[cH:32][c:33]([F:38])[c:34]([NH2:35])[cH:36][cH:37]1.[Cs+:82].[Cs+:83].[Pd+2:95].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[O:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[Cl:1][c:2]1[n:3][c:4]([NH:35][c:34]2[c:33]([F:38])[cH:32][c:31]([Cl:30])[cH:37][cH:36]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][C:14]([CH3:15])=[O:16])[CH:17]([O:18][C:19]([CH3:20])=[O:21])[CH:22]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[O:23]3)[c:9]2[n:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 938984-Chloro-2-fluoroanilineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 253642[3,4-Diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetateHCID 4285986Bis[2-(diphenylphosphino)phenyl] ether

Product 1

HCID 23448902[3,4-Diacetyloxy-5-[2-chloro-6-(4-chloro-2-fluoroanilino)purin-9-yl]oxolan-2-yl]methyl acetate

Sources & evidence

ORD record
ord-ee3e859c633342b18600cd7ba2ecf1ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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