HRID2334260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12065084

4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid

C12H8N2O3

PRODUCTS

生成物

结构：CN(C)CCNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12

HCID15605162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-742273d1adad463bb1589816824f51a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:12]([N:13]=[C:14]=[N:15][CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH3:22].[CH3:23][N:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[CH3:30][N:31]([CH2:32][CH2:33][NH2:34])[CH3:35].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][CH2:67][O:68][CH2:69][CH3:70].[Cl-:54].[ClH:11].[Na+:53].[O:36]=[c:37]1[nH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[c:45]2[c:46]1[nH:47][cH:48][c:49]2[C:50](=[O:51])[OH:52].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[CH3:30][N:31]([CH2:32][CH2:33][NH:34][C:50]([c:49]1[c:45]2[c:44]3[c:39]([nH:38][c:37](=[O:36])[c:46]2[nH:47][cH:48]1)[cH:40][cH:41][cH:42][cH:43]3)=[O:51])[CH3:35]