HRID92998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID6344

Dichloromethane

CH2Cl2

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

结构：O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID173306048

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)CCn1cc(CC2CN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21

HCID178483707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d12532a037924e39b7be006ca4fc7822
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:55].[CH3:49][N:50]([CH2:51][CH2:52][Cl:53])[CH3:54].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][N+:72]([CH3:73])([CH3:74])[CH3:75].[Cl:76][CH2:77][Cl:78].[ClH:48].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:27][c:28]3[cH:29][nH:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]34)[CH2:10][N:11]([C:14]([CH:15]=[CH:16][c:17]3[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]3)=[O:26])[CH2:12][CH2:13]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[Na+:47].[OH-:46]>>[ClH:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:27][c:28]3[cH:29][n:30]([CH2:52][CH2:51][N:50]([CH3:49])[CH3:54])[c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]34)[CH2:10][N:11]([C:14]([CH:15]=[CH:16][c:17]3[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]3)=[O:26])[CH2:12][CH2:13]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]