HRID2127574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID462074

2-(Aminooxy)ethanamine

C2H8N2O

结构：CCc1c(C(=O)NCCCCCCC(=O)c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1

HCID66784140

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C(=O)NCCCCCCC(=NOCCN)c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1

HCID86622911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c28b7be44a7243369564c8a34c8b5355
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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