HRID209379

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

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID22327039

3-{1-[(tert-Butoxycarbonyl)amino]ethyl}benzoic acid

C14H19NO4

结构：CNC(Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1

HCID178483153

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)c1cccc(C(=O)N(C)C(Cc2ccc3ccccc3c2)C(=O)N(C)CCc2cccs2)c1

HCID20677515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fea01c99465049a88cbe6fd22da8943d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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