HRID1128862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID17453

Methyl (triphenylphosphoranylidene)acetate

C21H19O2P

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc(C(=O)OC(C)(C)C)ccc1Cn1cc(C=O)c2ccc(C(=O)NCC3CCCC3)cc21

HCID15013776

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cn(Cc2ccc(C(=O)OC(C)(C)C)cc2OC)c2cc(C(=O)NCC3CCCC3)ccc12

HCID54500983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a02fee23f2db4bdd9c52619a6d1b5913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]([CH:35]=[O:36])[cH:15][n:16]([CH2:19][c:20]4[c:21]([O:33][CH3:34])[cH:22][c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32]4)[c:17]3[cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:61]1[CH2:62][CH2:66][O:65][CH2:64][CH2:63]1.[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:56][C:57](=[O:58])[O:59][CH3:60])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]([CH:62]=[CH:56][C:57](=[O:58])[O:59][CH3:60])[cH:15][n:16]([CH2:19][c:20]4[c:21]([O:33][CH3:34])[cH:22][c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32]4)[c:17]3[cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5]1