HRID2135867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7505

Benzonitrile

C7H5N

2 次

HCID24290

未命名化合物

HCID27284

Fe +2 ion

Fe+2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

HCID57643068

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2cc(-c3cncnc3)cc(C(=O)OCC)n2n1

HCID68836417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a36118fd3f9f4cb5aed7d6f7c257e1c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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