HRID682099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

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

HCID287004

2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-

C21H18ClOP

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=O)c2)c1=O

HCID21201225

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=CC(=O)CCl)c2)c1=O

HCID86756858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e4881c6787b4df1af2440f512d53e07
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

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