HRID143817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID32051

Zinc (II) cation

Zn+2

HCID640163

methyl 4-ethynylbenzoate

C10H8O2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

结构：Cc1cc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)ccc1Br

HCID66704069

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C#Cc2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)cc1

HCID66704124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-531225959fec473298742d9953e15cc3
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[c:3]([CH3:26])[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH:21]([CH3:22])[CH3:23])[n:10][n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]2[Cl:19])[cH:24][cH:25]1.[CH3:27][O:28][C:29]([c:30]1[cH:31][cH:32][c:33]([C:36]#[CH:37])[cH:34][cH:35]1)=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[S:51]([O-:52])([C:53]([F:54])([F:55])[F:56])(=[O:57])=[O:58].[S:60]([O-:61])([C:62]([F:63])([F:64])[F:65])(=[O:66])=[O:67].[Zn+2:59]>>[c:2]1([C:37]#[C:36][c:33]2[cH:32][cH:31][c:30]([C:29]([O:28][CH3:27])=[O:38])[cH:35][cH:34]2)[c:3]([CH3:26])[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH:21]([CH3:22])[CH3:23])[n:10][n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]2[Cl:19])[cH:24][cH:25]1