HRID1131224

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

HCID35417

N-Methyl-3-phenylpropan-1-amine

C10H15N

HCID81531

Diisopropylethylamine

C8H19N

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

PRODUCTS

生成物

结构：CN(CCCc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C

HCID20677533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d3f80c3a414264b49e17b870103d35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[CH2:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH:63]([CH3:64])[CH3:65])[CH3:66].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][NH:48][CH2:49][CH2:50][CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:72][CH2:73][Cl:74].[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:48]([CH3:47])[CH2:49][CH2:50][CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[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