HRID2349727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9321

Hydrazine

H4N2

HCID13041

Pentafluorophenol

C6HF5O

HCID15908

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

C8H17N3

结构：CC(C)CC(C(=O)O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID69711055

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-530e4a7d29c047b588af585dfe41d19b
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]([CH3:24])[CH3:25].[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:38].[ClH:50].[F:26][c:27]1[c:28]([OH:29])[c:30]([F:31])[c:32]([F:33])[c:34]([F:35])[c:36]1[F:37].[NH2:51][NH2:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:51][NH2:52])[CH2:22][CH:23]([CH3:24])[CH3:25]