HRID215516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID22568800

Methyl 2-fluoro-4-iodobenzoate

C8H6FIO2

结构：C#Cc1cc(C2CC2)c2c(c1)C(C)(C)CC1(CC1)O2

HCID22568951

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1F

HCID69548418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7dcdc875a14b8aab117e32f0ec718c
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

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