HRID201092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID24350

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

CuI

结构：COC(=O)C(C)(C)Sc1nc(CCOc2ccc(I)cc2)cs1

HCID59759332

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Sc1nc(CCOc2ccc(C#Cc3ccccc3)cc2)cs1

HCID59759208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ee8e78140014168872fc6e1f83ae7ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:24](#[CH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[S:7][c:8]1[s:9][cH:10][c:11]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]2)[n:12]1)=[O:23].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cu:45][I:46].[OH2:32]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[S:7][c:8]1[s:9][cH:10][c:11]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([C:25]#[C:24][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[n:12]1)=[O:23]