HRID172819

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(OS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c(F)cc2c1=O

HCID13849335

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-ec8447ad61ef402c9710d8dd7f248260
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

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