HRID302125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N(CC1c2ccccc2-c2ccccc21)C(=O)[O-]

HCID178425956

未命名化合物

PRODUCTS

生成物

HCID59436024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3da9c470973c4170abb41d039845900e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[OH2:44].[cH:1]1[c:2]2[c:14]([cH:16][cH:17][cH:18]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][N:15]([C:5](=[O:6])[O-:7])[c:19]1[c:20]([CH3:37])[cH:21][c:22]([CH3:36])[c:23]([S:25](=[O:26])(=[O:27])[NH:28][CH2:29][c:30]2[cH:31][n:32][cH:33][cH:34][cH:35]2)[cH:24]1>>[NH2:15][c:19]1[c:20]([CH3:37])[cH:21][c:22]([CH3:36])[c:23]([S:25](=[O:26])(=[O:27])[NH:28][CH2:29][c:30]2[cH:31][n:32][cH:33][cH:34][cH:35]2)[cH:24]1