Ammonium → 5-(3-Hydroxy-1-propynyl)-2,2'-bithiophene

HRID 1129140Notes

Reaction equation

HRID 1129140 reaction equation
[CH2:27]([N+:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[CH2:33][CH3:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl-:18].[Cl-:26].[Cu:41][I:42].[I:5][c:6]1[cH:7][cH:8][c:9](-[c:11]2[s:12][cH:13][cH:14][cH:15]2)[s:10]1.[NH4+:19].[Na+:17].[OH-:16].[OH:1][C:2]#[C:3][CH3:4].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[OH:1][CH2:2][C:3]#[C:4][c:6]1[cH:7][cH:8][c:9](-[c:11]2[s:12][cH:13][cH:14][cH:15]2)[s:10]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 241BenzeneHCID 312Chloride2×HCID 923Sodium ionHCID 961HydroxideHCID 17208BenzyltriethylammoniumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 6432594Prop-1-yn-1-olHCID 113237785-Iodo-2,2'-bithiopheneHCID 178420554HCID 178420554, compound

Product 1

HCID 189204415-(3-Hydroxy-1-propynyl)-2,2'-bithiophene

Sources & evidence

ORD record
ord-22eac5d4a15e4f22a201c20c6ffe6402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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