HRID137386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10898

2-Bromo-1-ethanol

C2H5BrO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID166653

Hydride

H-

结构：Cc1nc(C(=O)N2CCCCC2Cc2nc3cc(F)c(F)cc3[nH]2)c(-c2ccc(F)cc2)s1

HCID17973672

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)N2CCCCC2Cc2nc3cc(F)c(F)cc3n2CCO)c(-c2ccc(F)cc2)s1

HCID17973689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18bedd6dd39543f78ab900e52f47678c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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