HRID306926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC(=O)Nc1ccc(Sc2ccc(C(=O)O)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID67040871

未命名化合物

HCID86615566

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Nc1ccc(Sc2ccc(C(=O)NC(C)(C)COP(=O)(OC(C)(C)C)OC(C)(C)C)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID67040540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0171a293eacc464589f90c2ebdb526b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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