HRID943141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID68983

Trimethyl phosphine

C3H9P

HCID75555

未命名化合物

HCID80471

Triethyl methanetricarboxylate

C10H16O6

结构：CC(C)c1nc2c(n1Cc1ccc(Cl)c(Cl)c1)C(O)CCCC2

HCID58460147

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)(C(=O)OCC)C1CCCCc2nc(C(C)C)n(Cc3ccc(Cl)c(Cl)c3)c21

HCID58460159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de443a813b6c4ee6b3c7e85c1a5272bc
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

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