HRID159573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID59822262

未命名化合物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(CS)c2CC1

HCID59822276

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(CSc3ccc(-c4csc(NCC5CC5)n4)cc3)c2CC1

HCID86623709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-595b124d89bc4c939965bf9802a24e3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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