HRID146160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C(=O)OC(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID10916149

未命名化合物

结构：COC(=O)c1ccc(Cc2cn(C)c3ccc(C=O)cc23)c(OC)c1

HCID14882555

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cc2cn(C)c3ccc(C=C(C)C(=O)OC(C)(C)C)cc23)c(OC)c1

HCID67922456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b47bfd7b3f140d5a325077ba25ee168
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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