HRID689276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1923

8-Hydroxyquinoline

C9H7NO

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID19660

Carbonate

CO3-2

2 次

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID21575240

1-Fluoro-4-(methanesulfonyl)-2-methylbenzene

C8H9FO2S

HCID59158905

未命名化合物

结构：CCCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3)CC2)nc1

HCID67072517

未命名化合物

PRODUCTS

生成物

结构：CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4C)c(=O)c3)CC2)nc1

HCID57468412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf7cc982ba6e4282a2cd143c131ebbe4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:53][c:54]1[cH:55][cH:56][c:57]([C:58]#[N:59])[cH:60][cH:61]1.[C:62](=[O:63])([O-:64])[O-:65].[C:79](=[O:80])([O-:81])[O-:82].[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][n:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([O:16][c:17]3[cH:18][c:19](=[O:23])[nH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[n:8][cH:9]1.[CH3:24][S:25]([O:26][CH:27]1[CH2:28][CH2:29][N:30]([C:31]([O:32][CH:33]([CH3:34])[CH3:35])=[O:36])[CH2:37][CH2:38]1)(=[O:39])=[O:40].[Cs+:83].[Cs+:84].[Cu:85][I:86].[F:41][c:42]1[c:43]([CH3:52])[cH:44][c:45]([S:48](=[O:49])(=[O:50])[CH3:51])[cH:46][cH:47]1.[K+:66].[K+:67].[OH:68][c:69]1[c:70]2[c:71]([cH:72][cH:73][cH:74][n:75]2)[cH:76][cH:77][cH:78]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][n:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([O:16][c:17]3[cH:18][c:19](=[O:23])[n:20](-[c:42]4[c:43]([CH3:52])[cH:44][c:45]([S:48](=[O:49])(=[O:50])[CH3:51])[cH:46][cH:47]4)[cH:21][cH:22]3)[CH2:14][CH2:15]2)[n:8][cH:9]1