HRID1545251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID81643

2-Propyn-1-amine, N,N-dimethyl-

C5H9N

HCID69659242

3-(5-Bromo-2-benzofuran-1(3H)-ylidene)-1,3-dihydro-2H-indol-2-one

C16H10BrNO2

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：CN(C)CC#Cc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21

HCID69659151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de393f3cae56439cb0f5d5927853b35a
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:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[C:11]1[C:12](=[O:20])[NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]31)[O:6][CH2:5]2.[CH3:21][N:22]([CH2:23][C:24]#[CH:25])[CH3:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:39][OH:40].[Cu:41][I:42].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1([C:25]#[C:24][CH2:23][N:22]([CH3:21])[CH3:26])[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[C:11]1[C:12](=[O:20])[NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]31)[O:6][CH2:5]2