HRID109743

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

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC

HCID11213555

未命名化合物

HCID14041597

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(C#Cc5cn[nH]c5)c4)n3n2)cc(OC)c1OC

HCID58711951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1088274fd1d42c7828781c537d005fa
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

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[C:31](#[CH:32])[c:33]1[cH:34][n:35][nH:36][cH:37]1.[CH2:38]([N:39]([CH2:40][CH3:41])[CH2:42][CH3:43])[CH3:44].[CH3:45][OH:46].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cu:99][I:100].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[Pd:58]([Cl:59])[Cl:60].[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[c:2]1([C:32]#[C:31][c:33]2[cH:34][n:35][nH:36][cH:37]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1