HRID829535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID522627

1-Ethynyl-4-fluorobenzene

C8H5F

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Br)cn3)c2CC1

HCID57656249

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C#Cc4ccc(F)cc4)cn3)c2CC1

HCID66707224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7fc4877acb64b4c8fd23ab73da3c9f0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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