Chloride → Methyl 4-[3-(1-methylimidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate

HRID 687905Notes

Reaction equation

HRID 687905 reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:38]([N:39]([CH2:40][C:41]([OH:42])=[O:43])[CH2:44][C:45]([OH:46])=[O:47])[CH2:48][N:49]([CH2:50][C:51]([OH:52])=[O:53])[CH2:54][C:55]([OH:56])=[O:57].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:6][n:7]1[cH:8][n:9][cH:10][cH:11]1.[Cl-:16].[Cu:12][C:13]#[N:14].[F:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31][c:32]([CH:34]=[CH:35][CH2:36][Br:37])[cH:33]2)[cH:22][cH:23]1.[I-:64].[I-:66].[Li+:15].[OH2:63].[Zn+2:65]>>[CH3:6][n:7]1[c:8]([CH2:36][CH:35]=[CH:34][c:32]2[cH:31][cH:30][c:25]([C:26](=[O:27])[O:28][CH3:29])[c:24](-[c:21]3[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]3)[cH:33]2)[n:9][cH:10][cH:11]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 962WaterHCID 13901-MethylimidazoleHCID 6049Ethylenediaminetetraacetic AcidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 30165Iodide Ion2×HCID 32051Zinc(2+)HCID 54112501Methyl 2-(4-fluorophenyl)-4-(3-bromoprop-1-en-1-yl)benzoateHCID 178418339ButyllithiumHCID 178418546HCID 178418546, compound

Product 1

HCID 54337160Methyl 4-[3-(1-methylimidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate

Sources & evidence

ORD record
ord-38766aca454d490db469444687b90b6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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