HRID307268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID96070

Pentane, 1-bromo-5-chloro-

C5H10BrCl

HCID178447007

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)Oc1nc(N)c2nc(OC)n(CCCCCCl)c2n1

HCID72262071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad8c7ac8676b4e268ebf1a7c04133ecc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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