HRID193701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734314

4-Benzyloxyphenylboronic acid

C13H13BO3

HCID58587698

未命名化合物

PRODUCTS

产物

反应SMILES：c1ccc(COc2ccc(-c3c4c(nc5ccnn35)CCCCC4)cc2)cc1

HCID58587717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-94eea7efc6e744d8a6f5103eec49f4d4
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

[C:33](=[O:34])([O-:35])[O-:36].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:1][c:2]1[n:3]2[n:4][cH:5][cH:6][c:7]2[n:8][c:9]2[c:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2.[Na+:37].[Na+:38].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:27]2[cH:26][cH:25][c:24]([O:23][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:29][cH:28]2)[n:3]2[n:4][cH:5][cH:6][c:7]2[n:8][c:9]2[c:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2