HRID307241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(n3cc(I)ccc3=O)CC2)C1

HCID49764697

未命名化合物

PRODUCTS

生成物

结构：C#Cc1ccc(=O)n(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1

HCID49764698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36481010b58c4a23a6ad7c6e74ce4c1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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