HRID177561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID15290

Cyclohexanethiol

C6H12S

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

HCID143542

Ethyl 3-iodobenzoate

C9H9IO2

PRODUCTS

生成物

HCID66872472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff1a59a9ecf54313afa78d8d2de76d5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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