HRID677253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9731

4-Fluoroaniline

C6H6FN

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57438287

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1(c2ccccc2)CCC(=CC(=O)Nc2ccc(F)cc2)CC1

HCID11538331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf5daa470ecb4c2583983312e370bbf6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[CH3:27][N:28]([C:29]1([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:30][CH2:31][C:32](=[CH:35][C:36](=[O:37])[OH:38])[CH2:33][CH2:34]1)[CH3:45].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:46]1([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[ClH:26].[NH2:11][c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1.[Na+:62].[OH-:61].[OH2:68].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:11]([c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1)[C:36]([CH:35]=[C:32]1[CH2:31][CH2:30][C:29]([N:28]([CH3:27])[CH3:45])([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:34][CH2:33]1)=[O:37]