HRID1234543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID13665496

6-Amino-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one

C10H12N2O2

HCID86665093

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Oc2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2NC1=O

HCID67130057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0206e2c44a974287b31712251d8ad7f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:102]([OH:103])([CH3:104])([CH3:105])[CH3:106].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2.[Cl:43][CH2:44][Cl:45].[K+:29].[K+:30].[N:35]#[N:36].[NH2:15][c:16]1[cH:17][c:18]2[c:19]([cH:27][cH:28]1)[O:20][C:21]([CH3:25])([CH3:26])[C:22](=[O:24])[NH:23]2.[O-:31][C:32]([O-:33])=[O:34].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1([NH:15][c:16]2[cH:17][c:18]3[c:19]([cH:27][cH:28]2)[O:20][C:21]([CH3:25])([CH3:26])[C:22](=[O:24])[NH:23]3)[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2