HRID1121045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID21914546

N-Cyclopropyl-3-iodo-4-methylbenzamide

C11H12INO

HCID59427939

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1C#Cc1ccc(NCCN2CCOCC2)nc1

HCID59427921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d8c1c1162364ea8a2e4d7378b46cc40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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