HRID1541335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7124

2-Quinolinecarboxylic acid

C10H7NO2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O

HCID9914489

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1

HCID3579812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb29cda271824c95976812061da46e70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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