Toluene → [2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(2-fluoro-pyridin-3-yl)-methanol

HRID 675753Notes

Reaction equation

HRID 675753 reaction equation
[Br:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[cH:12][cH:13][cH:14][cH:15]2.[CH3:16][N:17]([CH3:18])[CH2:19][CH2:20][N:21]([CH3:22])[CH3:23].[CH3:24][CH2:25][CH2:26][CH2:27][Li:28].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:29][c:30]1[n:31][cH:32][cH:33][cH:34][c:35]1[CH:36]=[O:37]>>[c:2]1([CH:36]([c:35]2[c:30]([F:29])[n:31][cH:32][cH:33][cH:34]2)[OH:37])[c:3]2[c:4]([s:5][c:6]1[CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[cH:12][cH:13][cH:14][cH:15]2

Participants

6

Reactant 5

HCID 1140TolueneHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 114349442-Fluoropyridine-3-carbaldehydeHCID 58591562[2-(3-Bromo-benzo[b]thiophen-2-yl)-ethyl]-dimethyl-amineHCID 178418339Butyllithium

Product 1

HCID 58591576[2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(2-fluoro-pyridin-3-yl)-methanol

Sources & evidence

ORD record
ord-eb5a5a17396f4945bc40384ce0b419b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…