HRID2310558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(Br)cc3)n2)c1C(F)(F)F

HCID67159752

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

HCID86633489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8b8b50ee24e4c708a4172a559783c44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9](-[c:14]3[cH:15][cH:16][cH:17][c:18](-[n:20]4[n:21][cH:22][c:23]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:24]4[C:25]([F:26])([F:27])[F:28])[n:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:34][cH:35]1.[CH3:96][C:97]#[N:98].[F:36][C:37]([c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)([F:47])[F:48].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([C:37]([F:36])([F:47])[F:48])[cH:43][cH:42]2)[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9](-[c:14]3[cH:15][cH:16][cH:17][c:18](-[n:20]4[n:21][cH:22][c:23]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:24]4[C:25]([F:26])([F:27])[F:28])[n:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:34][cH:35]1