HRID298884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11905

alpha-Bromo-o-chlorotoluene

C7H6BrCl

HCID19660

Carbonate

CO3-2

结构：Cn1c(=O)c2[nH]c(N3CCCC(NC(=O)OC(C)(C)C)C3)cc2n(C)c1=O

HCID68963764

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(cc(N3CCCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2Cl)n(C)c1=O

HCID178481331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c87786416534190b8582d2815b647bb
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

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