HRID136483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102313

O-Benzylhydroxylamine

C7H9NO

反应SMILES：CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1)NC(=O)OC(C)(C)C

HCID59762811

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)NOCc3ccccc3)cc2)cc1)NC(=O)OC(C)(C)C

HCID59762819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73894660cad14a2db132f2d5fc3f4198
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][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:20][cH:21]2)[cH:27][cH:28]1)[C:29]([N:30]([CH3:31])[CH3:32])=[O:33].[CH2:64]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[O:71][NH2:72].[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:78][CH2:79][CH2:80][CH2:81][CH2:82][CH3:83].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[ClH:44].[ClH:63].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:25])[NH:72][O:71][CH2:64][c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)[cH:20][cH:21]2)[cH:27][cH:28]1)[C:29]([N:30]([CH3:31])[CH3:32])=[O:33]