HRID1148898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID164401

3-Aminopyrrolidine

C4H10N2

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(S(=O)(=O)c3ccccc3)c(F)cc2c1=O

HCID13849342

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(N)C3)c(F)cc2c1=O

HCID13667039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64cd94f5abf640389418fa3a9aa90100
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:50][CH2:51][OH:52].[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][NH:6][CH2:7][CH2:8]1.[c:16]1([S:17](=[O:18])(=[O:19])[c:25]2[c:26]([F:49])[cH:27][c:28]3[c:29](=[O:48])[c:30]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:31][n:32](-[c:35]4[c:36]([F:42])[cH:37][c:38]([F:41])[cH:39][cH:40]4)[c:33]3[n:34]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH2:3][CH:4]1[CH2:5][N:6]([c:25]2[c:26]([F:49])[cH:27][c:28]3[c:29](=[O:48])[c:30]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:31][n:32](-[c:35]4[c:36]([F:42])[cH:37][c:38]([F:41])[cH:39][cH:40]4)[c:33]3[n:34]2)[CH2:7][CH2:8]1