HRID199631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6210

3,5-Dimethylpyrazole

C5H8N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

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

HCID10882967

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccccc3C)o2)n1

HCID18174679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6300faf6355c4fa9bf4771bda5d81209
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:25][c:26]1[n:27][nH:28][c:29]([CH3:31])[cH:30]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:27]2[c:26]([CH3:25])[cH:30][c:29]([CH3:31])[n:28]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