HRID799297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10014434

6-Quinolinecarbonitrile, 2-(1-piperazinyl)-

C14H14N4

结构：Cc1ccc2c3c(ccc2n1)OCC(COS(=O)(=O)c1ccc(Br)cc1)O3

HCID21892070

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c3c(ccc2n1)OCC(CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3

HCID10072510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22c35ef55bb04bbfa597ae1a5d95ec4a
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

[Br:19][c:20]1[cH:21][cH:22][c:23]([S:24]([O:25][CH2:30][CH:31]2[CH2:32][O:33][c:34]3[c:35]([c:36]4[cH:37][cH:38][c:39]([CH3:44])[n:40][c:41]4[cH:42][cH:43]3)[O:45]2)(=[O:26])=[O:27])[cH:28][cH:29]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:54][S:55](=[O:56])[CH3:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:53]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:30][CH:31]4[CH2:32][O:33][c:34]5[c:35]([c:36]6[cH:37][cH:38][c:39]([CH3:44])[n:40][c:41]6[cH:42][cH:43]5)[O:45]4)[CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1