HRID697904

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：CCCCCCCNC(=O)N(CC)c1cccc(-c2ccc(C=O)cc2)c1

HCID86223658

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(CC)c1cccc(-c2ccc(C=CC(=O)OC)cc2)c1

HCID77257645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d414b1bf771c44d89f105677547953c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:25]([CH3:26])[N:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:38]1[cH:39][c:40](-[c:44]2[cH:45][cH:46][c:47]([CH:50]=[O:51])[cH:48][cH:49]2)[cH:41][cH:42][cH:43]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]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)=[CH:20][C:21](=[O:22])[O:23][CH3:24])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH:20]([C:21](=[O:22])[O:23][CH3:24])=[CH:52][c:47]1[cH:46][cH:45][c:44](-[c:40]2[cH:39][c:38]([N:27]([CH2:25][CH3:26])[C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:43][cH:42][cH:41]2)[cH:49][cH:48]1