HRID138355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8021

Diethylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：O=C(C1CC1c1ccccc1)N1CCC(CNc2ncc(Br)cn2)CC1

HCID22135706

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)C#Cc1cnc(NCC2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1

HCID22135601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0ca98d903e4450eb5c0853ca5c50f29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[CH:18]3[CH:19]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:20]3)[CH2:14][CH2:15]2)[n:6][cH:7]1.[CH2:37]([NH:38][CH2:39][CH3:40])[CH3:41].[CH3:27][Si:28]([CH3:29])([CH3:30])[C:31]#[CH:32].[CH3:33][S:34]([CH3:35])=[O:36].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cu:125]([I:126])[I:127].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1([C:32]#[C:31][Si:28]([CH3:27])([CH3:29])[CH3:30])[cH:3][n:4][c:5]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[CH:18]3[CH:19]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:20]3)[CH2:14][CH2:15]2)[n:6][cH:7]1