HRID113656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID92980

3-Piperidinecarboxamide

C6H12N2O

结构：CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC(CCC(N)=O)C(=O)O)n21

HCID67389686

未命名化合物

PRODUCTS

生成物

结构：CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC(CCC(N)=O)C(=O)N3CCCC(C(N)=O)C3)n21

HCID178421983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2860b4b3d34a4a8a8a123d8e70cbe532
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

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