HRID1214373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID10892112

Methanesulfonic acid, trifluoro-, 7-methoxy-2-naphthalenyl ester

C12H9F3O4S

PRODUCTS

生成物

HCID10954183

2-Cyano-7-methoxynaphthalene

C12H9NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-979dc814e2e641c291d8a28fb0f50b8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C-:33]#[N:34].[C-:36]#[N:37].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[cH:10][c:11]2[cH:12]1.[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[OH2:21].[Pd:38].[Zn+2:35].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[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:96]1([P:97]([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)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:28]#[N:29])[cH:10][c:11]2[cH:12]1