HRID1118600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID241

Benzene

C6H6

HCID1117

Sulfate

O4S-2

HCID1146

Trimethylamine

C3H9N

HCID6329

Methylamine

CH5N

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID107324

Cyclopentanone, 2,4,4-trimethyl-

C8H14O

HCID119632

2,2,4-Trimethylcyclopentan-1-one

C8H14O

HCID20548521

未命名化合物

HCID20548522

未命名化合物

PRODUCTS

生成物

HCID20548523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-346806bb63aa4d10a1088b136b845900
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:10][CH:11]1[CH2:12][C:13]([CH3:14])([CH3:15])[CH2:16][C:17]1=[O:18].[CH3:1][C:2]1([CH3:3])[CH2:4][CH:5]([CH3:6])[CH2:7][C:8]1=[O:9].[CH3:26][NH2:27].[CH3:33][N:34]([CH3:35])[CH3:36].[CH3:37][C:38]1([CH3:50])[CH:39]=[C:40]([N:44]([C:45]([CH2:46][Cl:47])=[O:48])[CH3:49])[CH:41]([CH3:43])[CH2:42]1.[CH3:51][CH:52]1[CH2:53][C:54]([CH3:55])([CH3:56])[C:57]([N:58]([CH3:59])[C:60](=[O:61])[CH2:62][Cl:63])=[CH:64]1.[Cl:28][CH2:29][C:30]([Cl:31])=[O:32].[NH4+:19].[NH4+:20].[O-:21][S:22](=[O:23])(=[O:24])[O-:25].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH3:37][C:38]1([CH3:50])[CH2:39][C:40]([N:44]([C:45]([CH2:46][Cl:47])=[O:48])[CH3:49])=[C:41]([CH3:43])[CH2:42]1