HRID297395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID572616

3-Amino-2-methylpyridine

C6H8N2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1Nc1ncnc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1

HCID57965037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7d6ab4d45d14d99aaea86472d9ee762
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[Cl:23])[CH2:12][CH2:13]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:37].[NH2:24][c:25]1[c:26]([CH3:31])[n:27][cH:28][cH:29][cH:30]1.[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH:24][c:25]2[c:26]([CH3:31])[n:27][cH:28][cH:29][cH:30]2)[CH2:12][CH2:13]1