HRID205638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

结构：Fc1ccc(-c2nncc(-c3ccc(F)c(Br)c3)n2)c(F)c1

HCID10384255

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：N#Cc1cc(-c2cnnc(-c3ccc(F)cc3F)n2)ccc1F

HCID9972774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf526e3da1214ec0bd2c734c061c0772
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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