HRID309710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID522270

4-Fluoro-3-(trifluoromethyl)benzylamine

C8H7F4N

HCID2822655

未命名化合物

HCID55300151

未命名化合物

HCID67103564

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)NCC1C(=O)NCc1ccc(F)c(C(F)(F)F)c1

HCID59252104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0af75bcc60b48459032df0a81269f0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:44]([N:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1)[CH3:51].[CH2:64]([N:65]=[C:66]=[N:67][CH2:68][CH2:69][CH2:70][N:71]([CH3:72])[CH3:73])[CH3:74].[CH3:11][N:12]1[CH:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:21][NH:22][C:23]1=[O:24].[CH3:1][N:2]1[C:3](=[O:10])[NH:4][CH2:5][CH:6]1[C:7](=[O:8])[OH:9].[Cl:88][CH2:89][Cl:90].[ClH:63].[F:75][c:76]1[c:77]([C:84]([F:85])([F:86])[F:87])[cH:78][c:79]([CH2:82][NH2:83])[cH:80][cH:81]1.[O:25]=[C:26]1[N:27]([C:28]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[CH:38]([C:39]([OH:40])=[O:41])[CH2:42][NH:43]1.[OH2:52].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][N:2]1[C:3](=[O:10])[NH:4][CH2:5][CH:6]1[C:7](=[O:9])[NH:83][CH2:82][c:79]1[cH:78][c:77]([C:84]([F:85])([F:86])[F:87])[c:76]([F:75])[cH:81][cH:80]1