HRID122500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24401

Permanganate Ion

MnO4-

HCID9970422

未命名化合物

HCID11267061

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN1CC2CN(CCCNc3ccc(C#N)cc3)CC(C1)O2

HCID9888884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f81108e76519453585337504cbace83d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][N:10]1[CH2:11][CH:12]2[CH2:13][NH:14][CH2:15][CH:16]([CH2:17]1)[O:18]2)=[O:19].[C:20](=[O:21])([O-:22])[O-:23].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][OH:63].[CH3:72][CH2:73][OH:74].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cl:68][CH2:69][Cl:70].[K+:24].[K+:25].[K+:54].[Mn:49]([O-:50])(=[O:51])(=[O:52])=[O:53].[NH3:48].[OH2:71].[c:26]1([S:27]([O:28][CH2:36][CH2:37][CH2:38][NH:39][c:40]2[cH:41][cH:42][c:43]([C:46]#[N:47])[cH:44][cH:45]2)(=[O:29])=[O:30])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][N:10]1[CH2:11][CH:12]2[CH2:13][N:14]([CH2:36][CH2:37][CH2:38][NH:39][c:40]3[cH:41][cH:42][c:43]([C:46]#[N:47])[cH:44][cH:45]3)[CH2:15][CH:16]([CH2:17]1)[O:18]2)=[O:19]