HRID146787

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

HCID19660

Carbonate

CO3-2

HCID66130

1H-Imidazole, 2-ethyl-

C5H8N2

结构：Cc1ccccc1OCCCc1oc(Cl)nc1-c1ccc(Cl)cc1

HCID10882967

未命名化合物

PRODUCTS

生成物

结构：CCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2C)o1

HCID18174686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f67d8f326fe64bc5bd8b9e1397376332
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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