Toluene → [4-Acetyloxy-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylcarbamoyl)purin-9-yl]-2-(2-ethyltetrazol-5-yl)oxolan-3-yl] acetate

HRID 955993Notes

Reaction equation

HRID 955993 reaction equation
[C:36]([CH3:37])(=[O:38])[O:39][CH:40]1[CH:41]([c:53]2[n:54][n:55][n:56]([CH2:58][CH3:59])[n:57]2)[O:42][CH:43]([O:49][C:50](=[O:51])[CH3:52])[CH:44]1[O:45][C:46]([CH3:47])=[O:48].[CH3:60][Si:61]([O:62][S:63]([C:64]([F:65])([F:66])[F:67])(=[O:68])=[O:69])([CH3:70])[CH3:71].[CH3:72][C:73]([Cl:74])([Cl:75])[Cl:76].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][nH:14][c:15]3[n:16][c:17]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[n:18]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:43]4[O:42][CH:41]([c:53]5[n:54][n:55][n:56]([CH2:58][CH3:59])[n:57]5)[CH:40]([O:39][C:36]([CH3:37])=[O:38])[CH:44]4[O:45][C:46]([CH3:47])=[O:48])[c:15]3[n:16][c:17]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[n:18]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 62781,1,1-TrichloroethaneHCID 8857Ethyl AcetateHCID 65367Trimethylsilyl triflateHCID 22992054[4,5-Diacetyloxy-2-(2-ethyltetrazol-5-yl)oxolan-3-yl] acetateHCID 1785234056-[(2,2-Diphenylethyl)amino]-N-[2-(1-piperidinyl)ethyl]-9H-purine-2-carboxamide

Product 1

HCID 22992072[4-Acetyloxy-5-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylcarbamoyl)purin-9-yl]-2-(2-ethyltetrazol-5-yl)oxolan-3-yl] acetate

Sources & evidence

ORD record
ord-67dd387421ee49a8b52a57286e0a3fa7
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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