HRID89833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(c2ccc(I)cc2)C2(CCCCC2)C1=O

HCID66681965

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

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(c2ccc(C#N)cc2)C2(CCCCC2)C1=O

HCID46892480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7266ff8fef724802b672150c5dbdef0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:4]([CH3:5])([CH3:6])[c:7]1[c:8]([NH:16][C:17]([CH2:18][N:19]2[C:20](=[O:37])[N:21]([c:30]3[cH:31][cH:32][c:33]([I:36])[cH:34][cH:35]3)[C:22]3([C:23]2=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)=[O:38])[c:9]([CH:13]([CH3:14])[CH3:15])[cH:10][cH:11][cH:12]1.[Cu:50]([I:51])[I:52].[K:1][C:2]#[N:3].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[C:2](#[N:3])[c:33]1[cH:32][cH:31][c:30]([N:21]2[C:20](=[O:37])[N:19]([CH2:18][C:17]([NH:16][c:8]3[c:7]([CH:4]([CH3:5])[CH3:6])[cH:12][cH:11][cH:10][c:9]3[CH:13]([CH3:14])[CH3:15])=[O:38])[C:23](=[O:24])[C:22]23[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:35][cH:34]1