HRID282404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID3594872

L-Asparagine, N-(phenylmethyl)-

C11H14N2O3

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(N)Cc1c[nH]cn1)C(C)C

HCID178447062

未命名化合物

PRODUCTS

生成物

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NCc1ccccc1)C(C)C

HCID178447054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-072d74cbecae4bb9b4f2fc5d06111210
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:15])[OH:16].[CH3:45][C:46]#[N:47].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl-:48].[NH2:17][CH:18]([C:19](=[O:20])[NH:21][CH:22]([CH:23]([CH2:24][CH:25]([CH:26]=[CH2:27])[CH:28]([CH3:29])[CH3:30])[OH:31])[CH2:32][CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1)[CH2:39][c:40]1[n:41][cH:42][nH:43][cH:44]1.[NH4+:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:16])[NH:17][CH:18]([C:19](=[O:20])[NH:21][CH:22]([CH:23]([CH2:24][CH:25]([CH:26]=[CH2:27])[CH:28]([CH3:29])[CH3:30])[OH:31])[CH2:32][CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1)[CH2:39][c:40]1[n:41][cH:42][nH:43][cH:44]1