HRID955022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID7622

Tributylamine

C12H27N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：Cc1cccc(-c2nn3c(c2-c2ccnc4cc(Br)ccc24)CCC3)n1

HCID21992522

7-Bromo-4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline

C21H17BrN4

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc2c(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccnc2c1

HCID66679480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b59d041fce84d779aa573177f9d1345
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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