HRID1551586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID14342989

未命名化合物

结构：COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OS(=O)(=O)C(F)(F)F)cc3)cc21

HCID86610023

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)CCC#Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

HCID68498993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9747a404fb1345aab85184a3d1bef452
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

[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][c:13]([CH2:16][O:17][CH:18]1[CH2:19][N:20]([C:38](=[O:39])[O:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:21][CH2:22][CH:23]1[c:24]1[cH:25][cH:26][c:27]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])[cH:28][cH:29]1)[cH:14][cH:15]2.[CH3:48][NH:49][C:50](=[O:51])[CH2:52][CH2:53][CH2:54][C:55]#[CH:56].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cu:71][I:72].[Na+:66].[OH:67][C:68](=[O:69])[O-:70]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][c:13]([CH2:16][O:17][CH:18]1[CH2:19][N:20]([C:38](=[O:39])[O:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:21][CH2:22][CH:23]1[c:24]1[cH:25][cH:26][c:27]([C:55]#[C:54][CH2:53][CH2:52][C:50]([NH:49][CH3:48])=[O:51])[cH:28][cH:29]1)[cH:14][cH:15]2