HRID674453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

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

HCID70670

Acetic acid, (triphenylphosphoranylidene)-, ethyl ester

C22H21O2P

结构：COc1ccc(-c2csc(C=O)c2-c2ccc(C#N)cc2C)cc1

HCID86671492

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1scc(-c2ccc(OC)cc2)c1-c1ccc(C#N)cc1C

HCID123864344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b72489467fd7478ebabcffab1b994c30
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

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