HRID2339624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID5147

Salicylamide

C7H7NO2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(Cl)n(C)c(=O)c21

HCID23070741

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(Oc3ccccc3C(N)=O)n(C)c(=O)c21

HCID23070993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0609b8e1bf744c068dd2d842511afc78
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

[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([Cl:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]12.[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[K+:44].[K+:45].[NH2:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[OH:39].[OH2:46]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([O:39][c:38]3[c:33]([C:31]([NH2:30])=[O:32])[cH:34][cH:35][cH:36][cH:37]3)[n:11]([CH3:15])[c:12](=[O:14])[c:13]12