Chloride → ethyl 3-[[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-hydroxymethyl]benzoate

HRID 672421Notes

Reaction equation

HRID 672421 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH:14]([Mg+:15])([CH3:16])[CH3:17].[Cl-:13].[F:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26][cH:27][n:28]3[c:37]2[CH:36]=[C:35]2[C:30]([CH3:40])([CH2:29]3)[CH:31]([CH:38]=[O:39])[CH2:32][CH2:33][CH2:34]2)[cH:23][cH:24]1.[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1>>[c:2]1([CH:38]([CH:31]2[C:30]3([CH3:40])[CH2:29][n:28]4[cH:27][n:26][c:25](-[c:22]5[cH:21][cH:20][c:19]([F:18])[cH:24][cH:23]5)[c:37]4[CH:36]=[C:35]3[CH2:34][CH2:33][CH2:32]2)[OH:39])[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 8028TetrahydrofuranHCID 143542Ethyl 3-iodobenzoateHCID 75164411HCID 75164411, compoundHCID 178461726HCID 178461726, compound

Product 1

HCID 178468868ethyl 3-[[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-hydroxymethyl]benzoate

Sources & evidence

ORD record
ord-02cbec9229f64609a1a1c3387e4d52b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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