HRID2341079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1001

Phenethylamine

C8H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID688293

3-Fluoro-4-(trifluoromethyl)benzoic acid

C8H4F4O2

PRODUCTS

生成物

结构：O=C(NCCc1ccccc1)c1ccc(C(F)(F)F)c(F)c1

HCID59536264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d335058ad4cc436c8d094e4b2662f37d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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