HRID2322843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6497

Dimethyl sulfate

C2H6O4S

HCID17208

Benzyltriethylammonium

C13H22N+

2 次

结构：CN1C(N)=C(c2cccc(C(F)(F)F)c2)C(=O)C1c1ccccc1

HCID178481250

未命名化合物

PRODUCTS

生成物

结构：CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)N1C

HCID13852362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24e4602d48c34274a08f30f5d51624d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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