HRID1234001

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

结构：CC(C)(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(O)CCC2

HCID58460182

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)C)n(Cc3ccc(Cl)cc3)c21

HCID58460179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b003197913d746a4addd7da03f52f4de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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