HRID2319353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID69393

3-Methoxypropyne

C4H6O

HCID83717

Copper iodide (CuI2)

CuI2

结构：O=C(NC1CCCCC1O)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1

HCID91045536

未命名化合物

PRODUCTS

生成物

结构：COCC#Cc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1

HCID77289966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc202c307ff4e2781d86a0ac9f50ee0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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