HRID1558449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID2776287

4-iodo-2,1,3-benzothiadiazole

C6H3IN2S

HCID4060964

未命名化合物

HCID59710031

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2nn3c(c2-c2cccc4nsnc24)CCC3)nc1

HCID10448638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b983aa9db0444eabb3ad2af76b84506b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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