HRID2313797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID735736

Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

C11H22N2O3

HCID178505402

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCSc2nc3cc(F)c(F)cc3[nH]2)CC1

HCID11711027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3a09bde210e43b6a833565225d5947e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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