HRID674060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1390

1-Methylimidazole

C4H6N2

HCID11776

Triphenylphosphine

C18H15P

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：Fc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(Cl)n2)cc1Cl

HCID57761490

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1-c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

HCID57761453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4777e6ab6a3145419e2d14e10ef2679e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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