HRID283793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID7261

2,4-Diaminotoluene

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID104727

Aluminum Cation

Al+3

HCID782222

Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate

C14H20N2O2

HCID3806114

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N

HCID11702833

N-(3-Amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C20H26N4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8285071efd714d599084fe9c330afb78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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