HRID679012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

反应SMILES：Cc1sc(N)nc1-c1c2c(=O)n(C)c(=O)n(CC(C)C)c2nn1Cc1csc2ccccc12

HCID58981164

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)Nc1nc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2csc3ccccc23)c(C)s1

HCID58981114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea5b0be7bcde4498ae4e21fa746afca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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