HRID300169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID16239

(+/-)-3-Butyn-2-ol

C4H6O

HCID17208

Benzyltriethylammonium

C13H22N+

HCID24350

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

CuI

HCID11323778

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID18920426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b9855fd93314be3824e0b945fb3e23e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:22]([N+:23]([CH2:24][CH3:25])([CH2:26][CH3:27])[CH2:28][CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl-:19].[Cl-:21].[Cu:36][I:37].[I:6][c:7]1[cH:8][cH:9][c:10](-[c:12]2[s:13][cH:14][cH:15][cH:16]2)[s:11]1.[NH4+:20].[Na+:18].[OH-:17].[OH:1][CH:2]([C:3]#[CH:4])[CH3:5].[cH:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[OH:1][CH:2]([C:3]#[C:4][c:7]1[cH:8][cH:9][c:10](-[c:12]2[s:13][cH:14][cH:15][cH:16]2)[s:11]1)[CH3:5]