HRID1555776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID105144

Palladium(2+)

Pd+2

HCID522627

1-Ethynyl-4-fluorobenzene

C8H5F

HCID178446124

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Cn1c(N)nc2ccc(CCc3ccc(F)cc3)nc21

HCID68868287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16351d278a8143b7bdf3ac13a863a8ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:8].[Br:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15]1)[n:16]([CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:17]([NH3+:19])[n:18]2.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:53][CH2:54][OH:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cu:72][I:73].[F:44][c:45]1[cH:46][cH:47][c:48]([C:51]#[CH:52])[cH:49][cH:50]1.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:10]1([CH2:52][CH2:51][c:48]2[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]2)[cH:11][cH:12][c:13]2[c:14]([n:15]1)[n:16]([CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:17]([NH2:19])[n:18]2