HRID287764

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID9321

Hydrazine

H4N2

HCID13041

Pentafluorophenol

C6HF5O

HCID15908

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

C8H17N3

结构：CC(C)CC(C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID9863149

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID70208153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ce64159ba6d451bb7c0615e81c501cc
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH2:10][CH2:11][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]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[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][CH2:10][CH2:11][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]