HRID1148386

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

HCID336652

1-(prop-2-yn-1-yl)piperidine

C8H13N

结构：COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(Br)c2)cc1C

HCID67157962

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)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCCCC3)c2)cc1C

HCID67157959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7562eb1c3a24d09a4d59b5fc72a08ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1.[CH3:10][O:11][C:12]([CH2:13][O:14][c:15]1[c:16]([CH3:33])[cH:17][c:18]([O:21][CH2:22][C:23]#[C:24][c:25]2[cH:26][c:27]([Br:32])[cH:28][c:29]([Br:31])[cH:30]2)[cH:19][cH:20]1)=[O:34].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cu:124][I:125].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[CH2:1]([C:2]#[C:3][c:27]1[cH:26][c:25]([C:24]#[C:23][CH2:22][O:21][c:18]2[cH:17][c:16]([CH3:33])[c:15]([O:14][CH2:13][C:12]([O:11][CH3:10])=[O:34])[cH:20][cH:19]2)[cH:30][c:29]([Br:31])[cH:28]1)[N:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1