HRID163496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID2755929

3-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

结构：CN(CCc1ccccc1OCCO)C(=O)C(N)Cc1ccc2ccccc2c1

HCID178483195

未命名化合物

PRODUCTS

生成物

结构：CN(CCc1ccccc1OCCO)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

HCID178483192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7024e24d2b084ad783532920c3965454
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]1.[CH2:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[CH3:68].[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl:74][CH2:75][Cl:76].[ClH:19].[NH2:31][CH:32]([C:33](=[O:34])[N:35]([CH3:36])[CH2:37][CH2:38][c:39]1[c:40]([O:45][CH2:46][CH2:47][OH:48])[cH:41][cH:42][cH:43][cH:44]1)[CH2:49][c:50]1[cH:51][c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[cH:58][cH:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([C:13](=[O:15])[NH:31][CH:32]([C:33](=[O:34])[N:35]([CH3:36])[CH2:37][CH2:38][c:39]2[c:40]([O:45][CH2:46][CH2:47][OH:48])[cH:41][cH:42][cH:43][cH:44]2)[CH2:49][c:50]2[cH:51][c:52]3[cH:53][cH:54][cH:55][cH:56][c:57]3[cH:58][cH:59]2)[cH:16][cH:17][cH:18]1