HRID117314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69393

3-Methoxypropyne

C4H6O

HCID83717

Copper iodide (CuI2)

CuI2

结构：COc1cc2c(Nc3ccc(I)c4c3OCO4)ncnc2cc1OCCCN1CCOCC1

HCID68882269

未命名化合物

PRODUCTS

生成物

结构：COCC#Cc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c2c1OCO2

HCID68881657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf1bf3bf80c436394cb7dc9b7eb5d4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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