HRID677122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID1118

Sulfuric acid

H2O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10290764

1-Methyl-1H-pyrazole-4,5-diamine

C4H8N4

HCID21904505

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)C(O)CCNC(=O)OC(C)(C)C)c1N

HCID178481905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-514305e25b504a1bbb4e3bbb55bd2aae
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

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