HRID305552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID79243

Quinoline, 6-bromo-

C9H6BrN

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

HCID178480034

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1

HCID24779724

6-{[6-(1-Methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline

C18H13N7S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13afd7911ab04dd19589099a76913c74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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