HRID96692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ccn1

HCID23153333

N1-[4-[(2-Amino-4-pyridinyl)oxy]-3-fluorophenyl]-N3-(4-fluorophenyl)propanediamide

C20H16F2N4O3

PRODUCTS

生成物

结构：O=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1)Nc1ccc(F)cc1

HCID23153505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e4b85692d7e428681b175207c55a750
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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