HRID2346380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID136809

Benzophenone imine

C13H11N

反应SMILES：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

反应SMILES：Cc1nc2ncc(Br)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1

HCID66746051

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc2ncc(N)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1

HCID66746189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6ef597f6fc8946599cb7f1f014b9b13e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:47][c:48]1[cH:49][c:50]2[cH:51][c:52]([C:59](=[O:60])[NH:61][CH2:62][c:63]3[cH:64][cH:65][c:66]([C:69]([CH3:70])([CH3:71])[CH3:72])[cH:67][cH:68]3)[c:53]([CH3:58])[n:54][c:55]2[n:56][cH:57]1.[CH3:100][CH2:101][O:102][C:103]([CH3:104])=[O:105].[CH3:87][C:88]([CH3:89])([O-:90])[CH3:91].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[K+:92].[c:73]1([C:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:81]2)=[NH:80])[cH:82][cH:83][cH:84][cH:85][cH:86]1.[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[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]1>>[c:48]1([NH2:80])[cH:49][c:50]2[cH:51][c:52]([C:59](=[O:60])[NH:61][CH2:62][c:63]3[cH:64][cH:65][c:66]([C:69]([CH3:70])([CH3:71])[CH3:72])[cH:67][cH:68]3)[c:53]([CH3:58])[n:54][c:55]2[n:56][cH:57]1