HRID667751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID57929882

未命名化合物

HCID57929893

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12

HCID49830802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efc579f95fb3435ca531f0aced349f1e
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:124][CH2:125][O:126][CH2:127][CH3:128].[Cl-:44].[Cl-:46].[Cl:36][CH2:37][Cl:38].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2[I:14])[CH2:15][CH2:16][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[I:18][c:19]1[cH:20][cH:21][c:22]2[n:23]([n:24]1)[c:25]([CH:28]([CH3:29])[CH3:30])[n:26][n:27]2.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[Zn+2:45].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2-[c:19]2[cH:20][cH:21][c:22]4[n:23]([n:24]2)[c:25]([CH:28]([CH3:29])[CH3:30])[n:26][n:27]4)[CH2:15][CH2:16][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1