HRID682154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID610939

6-Bromoquinoxaline

C8H5BrN2

HCID59710031

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1

HCID10358214

6-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoxaline

C19H15N5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70aa67f5c7e948f39ad0ea3a00629e7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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