HRID283956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID18760276

N,N-Dimethyl-3-piperidinecarboxamide

C8H16N2O

结构：CC(C)c1csc(C=Cc2ccn3c(=O)c(C=CC(=O)O)c(N4CCCC(C(=O)N(C)C)C4)nc3c2)n1

HCID69603245

未命名化合物

结构：CC(C)c1csc(C=Cc2ccn3c(=O)cc(O)nc3c2)n1

HCID141588971

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1csc(C=Cc2ccn3c(=O)cc(N4CCCC(C(=O)N(C)C)C4)nc3c2)n1

HCID69603177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b0438e1fb8d49409ef79d497d61fe46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:101][N:102]([CH3:103])[c:104]1[cH:105][cH:106][n:107][cH:108][cH:109]1.[CH3:110][N:111]([CH3:112])[CH:113]=[O:114].[CH3:23][N:24]([C:25](=[O:26])[CH:27]1[CH2:28][N:29]([c:33]2[n:34][c:35]3[n:36]([c:37](=[O:44])[c:38]2[CH:39]=[CH:40][C:41]([OH:42])=[O:43])[cH:45][cH:46][c:47]([CH:49]=[CH:50][c:51]2[s:52][cH:53][c:54]([CH:56]([CH3:57])[CH3:58])[n:55]2)[cH:48]3)[CH2:30][CH2:31][CH2:32]1)[CH3:59].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[CH3:85][N:86]([CH3:87])[C:88]([CH:89]1[CH2:90][CH2:91][CH2:92][NH:93][CH2:94]1)=[O:95].[F:78][C:79]([F:80])([F:81])[C:82]([OH:83])=[O:84].[O:96]1[CH2:97][CH2:98][CH2:99][CH2:100]1.[OH:1][c:2]1[n:3][c:4]2[cH:5][c:6]([CH:7]=[CH:8][c:9]3[s:10][cH:11][c:12]([CH:13]([CH3:14])[CH3:15])[n:16]3)[cH:17][cH:18][n:19]2[c:20](=[O:21])[cH:22]1.[c:60]1([CH3:61])[cH:62][cH:63][c:64]([S:65]([Cl:66])(=[O:67])=[O:68])[cH:69][cH:70]1>>[CH3:23][N:24]([C:25](=[O:26])[CH:27]1[CH2:28][N:29]([c:33]2[n:34][c:35]3[n:36]([c:37](=[O:44])[cH:38]2)[cH:45][cH:46][c:47]([CH:49]=[CH:50][c:51]2[s:52][cH:53][c:54]([CH:56]([CH3:57])[CH3:58])[n:55]2)[cH:48]3)[CH2:30][CH2:31][CH2:32]1)[CH3:59]