HRID204599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(C(=O)OCC)n[nH]1

HCID14972068

Ethyl 5-(tributylstannyl)-1H-pyrazole-3-carboxylate

C18H34N2O2Sn

结构：CC(C)N1CC2CC1CN2c1ccc(Nc2ncc(Br)n3ncnc23)cc1

HCID75038635

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-c2cnc(Nc3ccc(N4CC5CC4CN5C(C)C)cc3)c3ncnn23)[nH]n1

HCID178468657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7834b18a55664a4db6fae26a58e83a54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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