HRID312708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID12917485

未命名化合物

HCID178445034

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(=O)CCCCCC(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O

HCID178445033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e2f4e3299b488db4b49bb982211010
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

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