Hydrochloric Acid → 3-(4-Chlorophenyl)prop-2-yn-1-ol

HRID 2321521Notes

Reaction equation

HRID 2321521 reaction equation
[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].[Pd:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][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

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 7859Propargyl alcoholHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine4×HCID 125101-Chloro-4-iodobenzeneHCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

Product 1

HCID 41117183-(4-Chlorophenyl)prop-2-yn-1-ol

Sources & evidence

ORD record
ord-1d9995d22a024f74b794384e02ef76e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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