HRID835145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)O

HCID4668928

2-ethoxy-5-[(4-ethylpiperazino)sulfonyl]nicotinic acid

C14H21N3O5S

HCID11264312

4-amino-5-ethyl-1-(2-methoxyethyl)pyrazole-3-carboxamide

C9H16N4O2

PRODUCTS

生成物

结构：CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)nn(CCOC)c1CC

HCID11478208

N-[3-Carbamoyl-5-ethyl-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-2-ethoxy-5-(4-ethylpiperazine-1-sulfonyl)pyridine-3-carboxamide

C23H35N7O6S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acc03c2994444ceaa1d077b2db66b2d8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]2)[cH:11][n:12]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[NH2:24][c:25]1[c:26]([C:36](=[O:37])[NH2:38])[n:27][n:28]([CH2:32][CH2:33][O:34][CH3:35])[c:29]1[CH2:30][CH3:31].[OH2:39]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:8])[NH:24][c:25]2[c:26]([C:36](=[O:37])[NH2:38])[n:27][n:28]([CH2:32][CH2:33][O:34][CH3:35])[c:29]2[CH2:30][CH3:31])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH3:23])[CH2:20][CH2:21]2)[cH:11][n:12]1