HRID150367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID121691

Cyclohexanamine, 1-ethynyl-

C8H13N

结构：Cn1c(Br)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1

HCID10068778

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C#CC2(N)CCCCC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1

HCID10094173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d389d8a1ae14fad86f675537e4f9d2b
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

[Br:1][c:2]1[n:3]([CH3:23])[c:4](-[c:13]2[s:14][c:15]3[n:16][cH:17][n:18][c:19]([NH2:22])[c:20]3[n:21]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1.[C:31](#[CH:32])[C:33]1([NH2:39])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cu:40][I:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[c:2]1([C:32]#[C:31][C:33]2([NH2:39])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[n:3]([CH3:23])[c:4](-[c:13]2[s:14][c:15]3[n:16][cH:17][n:18][c:19]([NH2:22])[c:20]3[n:21]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1