HRID1207014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID46864087

2-Chloro-5-cyclopropylpyrimidine

C7H7ClN2

结构：N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1

HCID67445587

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCN(c2ncc(C3CC3)cn2)CC1

HCID44621658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7b9f883e76b43f3a491b32277f8e59c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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