HRID946956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1

HCID22389509

未命名化合物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OCC(C)(C)C)n(-c3ncccn3)n2)c1

HCID86677395

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OCC(C)(C)C)n(-c3ncccn3)n2)c1

HCID76166125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7691669961b54aa594d581c6a5a46699
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:1]([OH:2])(=[O:3])[CH3:4].[CH3:5][C:6]([CH2:7][O:8][C:9]([C:10]([C:11](=[O:12])[O:13][CH2:14][O:15][c:16]1[n:17](-[c:45]2[n:46][cH:47][cH:48][cH:49][n:50]2)[n:18][c:19]([CH:21]([c:22]2[c:23]([F:34])[c:24]([O:30][CH2:31][CH2:32][OH:33])[cH:25][c:26]([O:28][CH3:29])[cH:27]2)[NH:35][c:36]2[cH:37][cH:38][c:39]([C:42]([NH2:43])=[NH:44])[cH:40][cH:41]2)[n:20]1)([CH3:51])[CH3:52])=[O:53])([CH3:54])[CH3:55].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[N+:56]([c:57]1[cH:58][cH:59][c:60]([O:65][C:66](=[O:61])[O:67][CH2:68][C:69]([CH3:70])([CH3:71])[CH3:72])[cH:62][cH:63]1)([O-:64])=[O:73]>>[CH3:5][C:6]([CH2:7][O:8][C:9]([C:10]([C:11](=[O:12])[O:13][CH2:14][O:15][c:16]1[n:17](-[c:45]2[n:46][cH:47][cH:48][cH:49][n:50]2)[n:18][c:19]([CH:21]([c:22]2[c:23]([F:34])[c:24]([O:30][CH2:31][CH2:32][OH:33])[cH:25][c:26]([O:28][CH3:29])[cH:27]2)[NH:35][c:36]2[cH:37][cH:38][c:39]([C:42]([NH2:43])=[N:44][C:66](=[O:65])[O:67][CH2:68][C:69]([CH3:70])([CH3:71])[CH3:72])[cH:40][cH:41]2)[n:20]1)([CH3:51])[CH3:52])=[O:53])([CH3:54])[CH3:55]