HRID114665

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID616002

4-Biphenylcarboxylic acid, 4'-chloro-

C13H9ClO2

HCID58992630

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1N1CCCC(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1

HCID58992643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab156d1915544e669e7472409f77ac26
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

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