HRID2317546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID59255090

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]c1ccc(OCc2ccccc2)cc1

HCID59255482

未命名化合物

PRODUCTS

生成物

结构：Nc1ncccc1-n1cc(Cc2ccc(OCc3ccccc3)cc2)cn1

HCID59255441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da01a87817e0405f8fc1af3468a86157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][n:5](-[c:7]2[c:8]([NH2:13])[n:9][cH:10][cH:11][cH:12]2)[cH:6]1.[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][Sn:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[cH:40][cH:41]1.[CH3:73][N:74]1[CH2:75][CH2:76][CH2:77][C:78]1=[O:79].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64].[c:42]1([CH3:43])[cH:44][cH:45][cH:46][cH:47][c:48]1[P:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][c:62]1[CH3:63]>>[c:2]1([CH2:26][c:25]2[cH:24][cH:23][c:22]([O:21][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:41][cH:40]2)[cH:3][n:4][n:5](-[c:7]2[c:8]([NH2:13])[n:9][cH:10][cH:11][cH:12]2)[cH:6]1