HRID137317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1110

Butanedioic acid

C4H6O4

HCID8076

2-Ethoxyethanol

C4H10O2

HCID9015

4-Methoxyphenol

C7H8O2

结构：COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

HCID456317

N~4~-{6-Methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine

C23H26F3N3O2

HCID12049927

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Oc2c(OC)cc([N+](=O)[O-])c3nccc(C)c23)cc1

HCID630958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da24e434642f4db092eaa46861e9fa00
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

[C:29]([OH:30])(=[O:31])[CH2:32][CH2:33][C:34]([OH:35])=[O:36].[CH3:12][c:13]1[cH:14][cH:15][n:16][c:17]2[c:18]([N+:26](=[O:27])[O-:28])[cH:19][c:20]([O:24][CH3:25])[c:21]([Cl:23])[c:22]12.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([OH:9])[cH:7][cH:8]1.[CH3:68][CH2:69][O:70][CH2:71][CH2:72][OH:73].[K+:11].[NH2:37][CH2:38][CH2:39][CH2:40][CH:41]([NH:42][c:43]1[cH:44][c:45]([O:46][CH3:47])[c:48]([O:49][c:50]2[cH:51][cH:52][cH:53][c:54]([C:55]([F:56])([F:57])[F:58])[cH:59]2)[c:60]2[c:61]1[n:62][cH:63][cH:64][c:65]2[CH3:66])[CH3:67].[OH-:10].[OH2:74]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:9][c:21]2[c:20]([O:24][CH3:25])[cH:19][c:18]([N+:26](=[O:27])[O-:28])[c:17]3[n:16][cH:15][cH:14][c:13]([CH3:12])[c:22]32)[cH:7][cH:8]1