HRID89641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID99767

未命名化合物

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)O)n(-c3cccc(F)c3)n2)CC1

HCID66854678

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCCC3C(=O)OCc3ccccc3)n(-c3cccc(F)c3)n2)CC1

HCID66855685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1628ebc55ca424ea96b8438a3c8ded0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:36]3[cH:37][c:38]([F:42])[cH:39][cH:40][cH:41]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[OH:35])[cH:30]2)=[O:43])[CH2:10][CH2:11]1.[CH2:64]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[O:71][C:72]([CH:73]1[NH:74][CH2:75][CH2:76][CH2:77]1)=[O:78].[CH2:90]([Cl:91])[CH2:92][Cl:93].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:63].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:36]3[cH:37][c:38]([F:42])[cH:39][cH:40][cH:41]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[N:74]3[CH:73]([C:72]([O:71][CH2:64][c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)=[O:78])[CH2:77][CH2:76][CH2:75]3)[cH:30]2)=[O:43])[CH2:10][CH2:11]1