Water → METHYL 3-PHENYLETHYNYL-BENZOATE

HRID 2143977Notes

Reaction equation

HRID 2143977 reaction equation
[CH2:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[Cl:26][CH2:27][Cl:28].[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1.[OH2:70].[Pd:29]([Cl:30])[Cl:31].[c:12]1([C:18]#[CH:19])[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1([C:19]#[C:18][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 8082PiperidineHCID 10821PhenylacetyleneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 69258Methyl 3-iodobenzoate

Product 1

HCID 11053642METHYL 3-PHENYLETHYNYL-BENZOATE

Sources & evidence

ORD record
ord-89267bacbf72492d8bf5daee1c559e5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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