HRID124903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

结构：Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(Cl)ccc2OCC3)c(F)c1

HCID57900309

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(c2ccc3c(n2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)CC1

HCID58204023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c34eec7b0d041d999a07212a8256f1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH:29]([CH3:30])([CH3:31])[N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd+2:49]>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([CH:29]([CH3:30])[CH3:31])[CH2:37][CH2:36]2)[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2