HRID1548126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2758231

3',5'-Dichloro-2,2,2-trifluoroacetophenone

C8H3Cl2F3O

结构：Cc1cc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Br

HCID86674671

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1Br

HCID76563582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b231a6650a6440babd749358398f4d8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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