HRID2344194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11379992

4-acetylamino-5-chloro-2-methoxybenzoyl chloride

C10H9Cl2NO3

HCID23461651

1-(3-Methylbutyl)-4-nitrosopiperazine

C9H19N3O

PRODUCTS

生成物

结构：COc1cc(NC(C)=O)c(Cl)cc1C(=O)NN1CCN(CCC(C)C)CC1

HCID23461655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-167a57c9d68a401381a58e5f4d33247f
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

[C:14]([CH3:15])(=[O:16])[NH:17][c:18]1[cH:19][c:20]([O:28][CH3:29])[c:21]([C:22](=[O:23])[Cl:24])[cH:25][c:26]1[Cl:27].[CH3:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([N:11]=[O:12])[CH2:9][CH2:10]1)[CH3:13].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Na+:38].[OH-:37]>>[CH3:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([NH:11][C:22]([c:21]2[c:20]([O:28][CH3:29])[cH:19][c:18]([NH:17][C:14]([CH3:15])=[O:16])[c:26]([Cl:27])[cH:25]2)=[O:23])[CH2:9][CH2:10]1)[CH3:13]