Ammonium → [1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-pyrimidin-2-ylmethanol

HRID 134955Notes

Reaction equation

HRID 134955 reaction equation
[Br-:25].[Br-:27].[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:12])([c:6]1[n:7][cH:8][cH:9][cH:10][n:11]1)[CH2:13][CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH3:19].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl-:51].[F:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[n:36][cH:37][n:38]3[c:47]2[CH:46]=[C:45]2[C:40]([CH3:50])([CH2:39]3)[CH:41]([CH:48]=[O:49])[CH2:42][CH2:43][CH2:44]2)[cH:33][cH:34]1.[Li:20][CH2:21][CH2:22][CH2:23][CH3:24].[Mg+2:26].[NH4+:52]>>[c:6]1([CH:48]([CH:41]2[C:40]3([CH3:50])[CH2:39][n:38]4[cH:37][n:36][c:35](-[c:32]5[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]5)[c:47]4[CH:46]=[C:45]3[CH2:44][CH2:43][CH2:42]2)[OH:49])[n:7][cH:8][cH:9][cH:10][n:11]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 259Bromide ion2×HCID 312ChlorideHCID 888Magnesium CationHCID 8028TetrahydrofuranHCID 27632512-(Tributylstannyl)pyrimidineHCID 75164411HCID 75164411, compoundHCID 178418339Butyllithium

Product 1

HCID 178421519[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-pyrimidin-2-ylmethanol

Sources & evidence

ORD record
ord-b4dda5966e03487182bdd0362cd86717
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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