HRID135691

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

HCID181649

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

C5H4N4O

结构：CN(C(=O)OC(C)(C)C)C(Cc1ccc2ccccc2c1)C(=O)O

HCID22326972

未命名化合物

HCID22327127

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(COCC(Cc2ccccc2)N(C)C(=O)C(Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)n1

HCID20827580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1df5473497c408bbc0821d76469f481
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])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[OH:13])[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1.[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][c:48]1[n:49][o:50][c:51]([CH2:53][O:54][CH2:55][CH:56]([CH2:57][c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[NH:64][CH3:65])[n:52]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Cl:66][CH2:67][Cl:68].[ClH:35].[OH:25][n:26]1[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[N:64]([CH:56]([CH2:55][O:54][CH2:53][c:51]1[o:50][n:49][c:48]([CH3:47])[n:52]1)[CH2:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH3:65])[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24]1