HRID2325126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

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

HCID17453

Methyl (triphenylphosphoranylidene)acetate

C21H19O2P

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=O)cc1

HCID22668143

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

HCID72479809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49a9bcdd544d41cd91a3043f4ebc1d3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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