HRID945737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6278

1,1,1-Trichloroethane

C2H3Cl3

HCID8857

Ethyl Acetate

C4H8O2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID5360349

6-Chloro-2-aminopurine

C5H4ClN5

HCID23377385

未命名化合物

2 次

PRODUCTS

产物

HCID22972463

[5-(2-Amino-6-chloropurin-9-yl)-4-benzoyloxy-2-(ethylcarbamoyl)oxolan-3-yl] benzoate

C26H23ClN6O6

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88d5a6131f534556b3a2564aad5b6ae3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)(=[O:19])[O:20][CH:21]1[CH:22]([C:39](=[O:40])[NH:41][CH2:42][CH3:43])[O:23][CH:24]([O:35][C:36](=[O:37])[CH3:38])[CH:25]1[O:26][C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34].[C:44]([O:45][CH:46]1[CH:47]([O:48][C:49](=[O:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH:57]([O:58][C:59](=[O:60])[CH3:61])[O:62][CH:63]1[C:64]([NH:65][CH2:66][CH3:67])=[O:68])(=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:100][CH2:101][O:102][C:103](=[O:104])[CH3:105].[CH3:88][C:89]([Cl:90])([Cl:91])[Cl:92].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[F:76][C:77]([F:78])([F:79])[S:80]([O:81][Si:82]([CH3:83])([CH3:84])[CH3:85])(=[O:86])=[O:87].[NH2:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1>>[NH2:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[n:6][cH:7][n:8]([CH:24]3[O:23][CH:22]([C:39](=[O:40])[NH:41][CH2:42][CH3:43])[CH:21]([O:20][C:12]([c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)=[O:19])[CH:25]3[O:26][C:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:34])[c:9]2[n:10]1