HRID197124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2777988

2-(3-Bromopropoxy)tetrahydro-2H-pyran

C8H15BrO2

结构：Fc1ccc(-c2nc3[nH]ncc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1

HCID11961374

4,6-Bis(4-fluorophenyl)-5-(4-pyridyl)-1H-pyrazolo[3,4-b]pyridine

C23H14F2N4

PRODUCTS

生成物

结构：Fc1ccc(-c2nc3nn(CCCOC4CCCCO4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1

HCID68445692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0c884bebb31434d83979a7adb5462af
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

[Br:32][CH2:33][CH2:34][CH2:35][O:36][CH:37]1[O:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[nH:27][n:28][cH:29]3)[cH:6][cH:7]1.[K+:31].[OH-:30].[OH2:43]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[n:27][n:28]([CH2:33][CH2:34][CH2:35][O:36][CH:37]2[O:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:29]3)[cH:6][cH:7]1