HRID1124903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID12510

Benzene, 1-chloro-4-iodo-

C6H4ClI

HCID24350

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

CuI

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

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

HCID4111718

3-(4-chlorophenyl)prop-2-yn-1-ol

C9H7ClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15770c491819451fbd1d5b6f07568308
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:20]([C:21]#[CH:22])[OH:23].[Cl:1][c:2]1[cH:3][cH:4][c:5]([I:8])[cH:6][cH:7]1.[ClH:24].[Cu:30][I:31].[N:9]12[CH2:10][CH2:11][CH2:12][N:13]=[C:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2.[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[OH2:109].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[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)[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)[cH:107][cH:108]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:22]#[C:21][CH2:20][OH:23])[cH:6][cH:7]1