HRID819380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID23159823

1,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H5Cl2F3

HCID76661479

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1

HCID66727923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-117210e0535c40ec96849ef269101e58
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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