HRID680618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

结构：OCC1=Cc2c(F)cc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OC1

HCID86657649

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc2c1C=C(CBr)CO2

HCID86657648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6abe199deb474db5aae0bfeed9141225
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

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