HRID694693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10330133

未命名化合物

结构：CCC(C)C(NC(=O)OC)C(=O)NC(Cc1ccccc1)C(O)CN(N)Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1

HCID178446816

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)OC)C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C

HCID49822785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9051416635294761bee5c030e78e5277
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:91]([O:92][CH2:93][CH3:94])(=[O:95])[CH3:96].[CH2:14]([Cl:15])[CH2:16][Cl:17].[CH2:81]([Cl:82])[Cl:83].[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:12])[OH:13].[CH3:29][C:30]([CH3:31])([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[n:38]1[n:39][c:40](-[c:43]2[cH:44][cH:45][c:46]([CH2:49][N:50]([CH2:51][CH:52]([CH:53]([CH2:54][c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[NH:61][C:62]([CH:63]([NH:64][C:65](=[O:66])[O:67][CH3:68])[CH:69]([CH3:70])[CH2:71][CH3:72])=[O:73])[OH:74])[NH2:75])[cH:47][cH:48]2)[n:41][n:42]1.[ClH:28].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1.[c:84]1([CH3:85])[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:13])[NH:75][N:50]([CH2:49][c:46]1[cH:45][cH:44][c:43](-[c:40]2[n:39][n:38]([C:30]([CH3:29])([CH3:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:42][n:41]2)[cH:48][cH:47]1)[CH2:51][CH:52]([CH:53]([CH2:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[NH:61][C:62]([CH:63]([NH:64][C:65](=[O:66])[O:67][CH3:68])[CH:69]([CH3:70])[CH2:71][CH3:72])=[O:73])[OH:74]