HRID1559453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID21075792

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c(N)nc3ccccc3c2n1NCC(C)C

HCID10086951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d0659b6860d24491aac25fa7af30fe08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH:18][CH2:19][CH:20]([CH3:21])[CH3:22])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1.[CH3:51][OH:52].[Cl:47][CH2:48][Cl:49].[Cl:53][CH:54]([Cl:55])[Cl:56].[NH4+:35].[OH-:34].[OH2:50].[OH:23][O:24][C:25]([c:26]1[cH:27][c:28]([Cl:29])[cH:30][cH:31][cH:32]1)=[O:33].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([Cl:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH:18][CH2:19][CH:20]([CH3:21])[CH3:22])[c:7]2[c:8]([c:9]([NH2:35])[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1