HRID152615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID19494

Cyclobutanecarboxylic acid

C5H8O2

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10399768

Guanidine, [4-[6-(aminomethyl)-2-pyridinyl]-2-thiazolyl]-

C10H12N6S

PRODUCTS

生成物

结构：NC(N)=Nc1nc(-c2cccc(CNC(=O)C3CCC3)n2)cs1

HCID10042277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27309b7222484e7b9e34b3bb4fadd51c
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:51](=[O:52])([O-:53])[O-:54].[C:68]([O:69][CH2:70][CH3:71])(=[O:72])[CH3:73].[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[CH:1]1([C:5](=[O:6])[OH:7])[CH2:2][CH2:3][CH2:4]1.[ClH:19].[ClH:31].[ClH:32].[ClH:33].[K+:55].[K+:56].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][c:40](-[c:42]2[n:43][c:44]([N:47]=[C:48]([NH2:49])[NH2:50])[s:45][cH:46]2)[n:41]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:62].[OH2:8].[OH:9][n:10]1[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[n:17][n:18]1>>[CH:1]1([C:5](=[O:7])[NH:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][c:40](-[c:42]3[n:43][c:44]([N:47]=[C:48]([NH2:49])[NH2:50])[s:45][cH:46]3)[n:41]2)[CH2:2][CH2:3][CH2:4]1