HRID204542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID178419298

未命名化合物

PRODUCTS

生成物

HCID178509456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7e3acb62f994653b6861c6625d52790
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]2[c:5]([cH:20][cH:21]1)[N:6]=[C:7]([NH:10][CH:11]1[CH2:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]31)[O:8][CH2:9]2.[C-:22]#[N:23].[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[OH2:24].[Pd:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([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)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1([C:22]#[N:23])[cH:3][c:4]2[c:5]([cH:20][cH:21]1)[N:6]=[C:7]([NH:10][CH:11]1[CH2:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]31)[O:8][CH2:9]2