HRID86675

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

HCID81076

2,4-Dichloro-6-morpholino-1,3,5-triazine

C7H8Cl2N4O

结构：COc1cc(NC(=O)OC(C)(C)C)cc2[nH]c(C(F)F)nc12

HCID66698048

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)cc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

HCID86645852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-100ebb3168bf40339892aede88ad203c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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