HRID1565792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID87438

2,6-Difluorobenzoyl chloride

C7H3ClF2O

HCID58486878

未命名化合物

PRODUCTS

生成物

结构：Cc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

HCID58487275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b730a6de7a5b44ce8c3815dc12716aa7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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