HRID2153345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID10006

2,4-Imidazolidinedione

C3H4N2O2

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID11675978

未命名化合物

PRODUCTS

生成物

结构：O=C1CNC(=O)N1CCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID11627375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c7d799dd7544cd2b1f76d2aec11d730
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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