HRID1567272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2733959

4-(Methylthio)phenylboronic acid

C7H9BO2S

结构：CC(C)(O)CCOc1c(Br)cnn(-c2ccc(F)c(F)c2)c1=O

HCID21934227

5-Bromo-2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)pyridazin-3(2H)-one

C15H15BrF2N2O3

PRODUCTS

生成物

结构：CSc1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2OCCC(C)(C)O)cc1

HCID21934358

2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one

C22H22F2N2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2e56f15d9eb426491160ae1949e2de1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:24][S:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:41][CH2:42][OH:43].[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12]([Br:23])[c:13]([O:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[OH:22])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:29]3[cH:28][cH:27][c:26]([S:25][CH3:24])[cH:31][cH:30]3)[c:13]([O:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[OH:22])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]