HRID689815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3301

Ethylenediamine

C2H8N2

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

结构：CCCn1c(=O)c2nc(C(C)Cc3ccc(OCC(=O)O)cc3)[nH]c2n(CCC)c1=O

HCID178456503

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)c2nc(C(C)Cc3ccc(OCC(=O)NCCN)cc3)[nH]c2n(CCC)c1=O

HCID178456499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c1c9f459cb34df1885e131da10c8f56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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