HRID146090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7859

Propargyl alcohol

C3H4O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID24290

未命名化合物

HCID24350

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

CuI

HCID30165

Iodide ion

I-

结构：O=C(NOCc1cccc(I)c1)c1ccccc1NCc1ccncc1

HCID58989772

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCc1cccc(C#CCO)c1)c1ccccc1NCc1ccncc1

HCID11749533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18aebec5446e4f6081f42056fb75f61a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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