HRID2155548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID4434433

3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C10H12N2O

HCID10376046

3-[(tert-Butoxycarbonyl)amino]-3-methylbutanoic acid

C10H19NO4

PRODUCTS

生成物

结构：CC(C)(CC(=O)NC1CCc2ccccc2NC1=O)NC(=O)OC(C)(C)C

HCID10317351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a5d5ea40b5c4c7ba33c8c72f60c4b9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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