HRID2128581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：Cc1cnc(Nc2nc(Cl)cn(Cc3ccccc3)c2=O)c(Br)c1

HCID58880105

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(Nc2nc(Cl)cn(Cc3ccccc3)c2=O)c(C#C[Si](C)(C)C)c1

HCID58880046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14ccdf74eab5451c89cf3aec01c97c5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:24])[c:10]([NH:15][c:16]2[n:17][cH:18][c:19]([CH3:23])[cH:20][c:21]2[Br:22])[n:11][c:12]([Cl:14])[cH:13]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Cu:109]([I:110])[I:111].[Pd:68]([Cl:69])[Cl:70].[Si:51]([CH3:52])([CH3:53])([CH3:54])[C:55]#[CH:56].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:24])[c:10]([NH:15][c:16]2[n:17][cH:18][c:19]([CH3:23])[cH:20][c:21]2[C:56]#[C:55][Si:51]([CH3:52])([CH3:53])[CH3:54])[n:11][c:12]([Cl:14])[cH:13]1