HRID283310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

HCID66620141

未命名化合物

结构：C#Cc1cnc(C2CCCN2C(=O)C(NC(=O)OC)C(C)C)[nH]1

HCID76818854

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：COC(=O)NC(C(=O)N1CCCC1c1ncc(C#Cc2ccc(-c3cnc(C4CCCN4C(=O)C(NC(=O)OC)C(C)C)[nH]3)cc2)[nH]1)C(C)C

HCID66621162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e2a044a80a241fc897d1ff906e0ac83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18]([C:21]#[CH:22])[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23].[CH3:24][O:25][C:26]([NH:27][CH:28]([CH:29]([CH3:30])[CH3:31])[C:32](=[O:33])[N:34]1[CH:35]([c:39]2[nH:40][c:41](-[c:44]3[cH:45][cH:46][c:47]([Br:50])[cH:48][cH:49]3)[cH:42][n:43]2)[CH2:36][CH2:37][CH2:38]1)=[O:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cu:142][I:143].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([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)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18]([C:21]#[C:22][c:47]3[cH:46][cH:45][c:44](-[c:41]4[nH:40][c:39]([CH:35]5[N:34]([C:32]([CH:28]([NH:27][C:26]([O:25][CH3:24])=[O:51])[CH:29]([CH3:30])[CH3:31])=[O:33])[CH2:38][CH2:37][CH2:36]5)[n:43][cH:42]4)[cH:49][cH:48]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23]