HRID1559627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID68983

Trimethyl phosphine

C3H9P

HCID75555

未命名化合物

HCID80471

Triethyl methanetricarboxylate

C10H16O6

HCID58460186

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)(C(=O)OCC)C1CCCc2nc(C(C)C)n(Cc3ccc(Cl)cc3)c21

HCID67434822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-416b2773b34d45f484b04c80207fb9bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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