HRID109901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID74168

Imidazole-1-ethanol

C5H8N2O

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COC(=O)Oc1cc(Nc2ncnc3cc(O)c(OC)cc23)c(F)cc1C

HCID135549390

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Oc1cc(Nc2ncnc3cc(OCCn4ccnc4)c(OC)cc23)c(F)cc1C

HCID22625025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff26b8302cce48819f80356dfc083538
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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