HRID104018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-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(-c3ccc(Br)cc3)cc2)[nH]1)C(C)C

HCID66620194

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(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

HCID66620711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00319028bd0241ea93504e8c96cdbe50
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

[CH3:1][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](-[c:50]4[cH:51][cH:52][c:53]([Br:56])[cH:54][cH:55]4)[cH:48][cH:49]3)[cH:42][n:43]2)[CH2:36][CH2:37][CH2:38]1)=[O:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cu:147][I:148].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]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:53]3[cH:52][cH:51][c:50](-[c:47]4[cH:46][cH:45][c:44](-[c:41]5[nH:40][c:39]([CH:35]6[N:34]([C:32]([CH:28]([NH:27][C:26]([O:25][CH3:24])=[O:57])[CH:29]([CH3:30])[CH3:31])=[O:33])[CH2:38][CH2:37][CH2:36]6)[n:43][cH:42]5)[cH:49][cH:48]4)[cH:55][cH:54]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23]