HRID163045

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

HCID15908

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

C8H17N3

HCID4192171

tert-butyl 3-aminopropanoate

C7H15NO2

结构：COP(=O)(CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)OC

HCID53811687

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OC(C)(C)C)OC

HCID19094421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8af033e2b9c46a684ba5725150c8e86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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