HRID300966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31374

Dimethylacetamide

C4H9NO

HCID2783411

4-Bromo-3-fluorobenzaldehyde

C7H4BrFO

HCID10977117

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc(-c2cc3cc(Cc4ccccc4)ccc3s2)c(F)c1

HCID58415282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a92ff3f5aefc46fd9ef96d8130fce25c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:10])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]2[c:22]([cH:23][cH:24][s:25]2)[cH:26]1.[CH3:109][N:110]([CH3:111])[C:112](=[O:113])[CH3:114].[CH3:28][C:29](=[O:30])[O-:31].[K+:27].[Pd:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1(-[c:24]2[cH:23][c:22]3[c:21]([cH:20][cH:19][c:18]([CH2:11][c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[cH:26]3)[s:25]2)[c:3]([F:10])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1