HRID160006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8794

Benzyl cyanide

C8H7N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31374

Dimethylacetamide

C4H9NO

HCID61668

Boronic acid

H3BO2

反应SMILES：Clc1nccnc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1

HCID86641662

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：N#CCc1ccc(-c2nccnc2N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1

HCID59322049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2f6f5cbbd13f4966a3f847a4e67fc294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[BH:26]([OH:27])[OH:28].[C:29](#[N:30])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:42].[K+:43].[OH2:44].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]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>>[ClH:1].[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][C:29]#[N:30])[cH:37][cH:36]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1