HRID198840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

结构：CC(C)(C)OC(=O)N1C2CCC(C2)C1c1ncc(-c2ccc(Br)cc2)[nH]1

HCID59610907

未命名化合物

结构：C#Cc1ccc(-c2cnc(C3CCCN3C(=O)C(NC(=O)OC)C(C)C)[nH]2)cc1

HCID72338228

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(-c2ccc(C#Cc3ccc(-c4cnc(C5C6CCC(C6)N5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

HCID66620733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ecdb5d301544a84a023924c9346f3be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]1[CH:38]2[CH2:39][CH2:40][CH:41]([CH:42]1[c:43]1[nH:44][c:45](-[c:48]3[cH:49][cH:50][c:51]([Br:54])[cH:52][cH:53]3)[cH:46][n:47]1)[CH2:55]2.[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]3[cH:22][cH:23][c:24]([C:27]#[CH:28])[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:29].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cu:147][I:148].[N:63]#[N:64].[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]3[cH:22][cH:23][c:24]([C:27]#[C:28][c:51]4[cH:50][cH:49][c:48](-[c:45]5[nH:44][c:43]([CH:42]6[N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH:38]7[CH2:39][CH2:40][CH:41]6[CH2:55]7)[n:47][cH:46]5)[cH:53][cH:52]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:29]