HRID1535394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID3595059

5-Bromothiophene-2-carbonitrile

C5H2BrNS

结构：C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCC(=O)CC1

HCID10828930

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：COc1ccc(C2(C#Cc3ccc(C#N)s3)CCC(=O)CC2)cc1OC1CCCC1

HCID54212301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13338bee297a4be7b2417500d0d30c43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:24][c:25]1[s:26][c:27]([C:30]#[N:31])[cH:28][cH:29]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[CH:23])[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:32].[Cu:118][I:119].[NH4+:33].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[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)[cH:116][cH:117]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[C:23][c:25]4[s:26][c:27]([C:30]#[N:31])[cH:28][cH:29]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1