HRID1544757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

HCID9812821

未命名化合物

HCID10943925

未命名化合物

HCID21993765

4-(3-Aminopropyl)-1-(3-phenylpropyl)-2-piperazinone

C16H25N3O

PRODUCTS

产物

反应SMILES：O=C(NCCCN1CCN(CCCc2ccccc2)C(=O)C1)C1=Cc2cnc3cccc(n23)S1

HCID21993927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cea2ba33c48e44d68c1526d7ec9f8701
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

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