HRID1124509

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

HCID137184

4-(Trifluoromethoxy)benzyl alcohol

C8H7F3O2

HCID21990788

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(N2CCc3ccccc32)nc1OCc1ccc(OC(F)(F)F)cc1

HCID21990327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44e41f42bdeb4359a3c5041768b2f1ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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