Dimethyl Sulfoxide → 4-[[2-[5-[[Boc(2-methoxyethyl)amino]methyl]-2-pyridyl]-7-thieno[3,2-b]pyridyl]oxy]-3-fluoroaniline

HRID 1575819Notes

Reaction equation

HRID 1575819 reaction equation
[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:46][S:47]([CH3:48])=[O:49].[Cl:16][c:17]1[c:18]2[c:19]([n:20][cH:21][cH:22]1)[cH:23][c:24](-[c:26]1[cH:27][cH:28][c:29]([CH2:32][N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:41][CH2:42][O:43][CH3:44])[cH:30][n:31]1)[s:25]2.[K+:15].[NH2:1][c:2]1[cH:3][c:4]([F:9])[c:5]([OH:8])[cH:6][cH:7]1.[OH2:45]>>[NH2:1][c:2]1[cH:3][c:4]([F:9])[c:5]([O:8][c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[cH:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([CH2:32][N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:41][CH2:42][O:43][CH3:44])[cH:30][n:31]2)[s:25]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 962WaterHCID 2735918Phenol, 4-amino-2-fluoro-HCID 45749132-Methylpropan-2-olateHCID 57919613tert-Butyl ((6-(7-chlorothieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)(2-methoxyethyl)carbamate

Product 1

HCID 579194724-[[2-[5-[[Boc(2-methoxyethyl)amino]methyl]-2-pyridyl]-7-thieno[3,2-b]pyridyl]oxy]-3-fluoroaniline

Sources & evidence

ORD record
ord-503d8c7e7aea411a88b56650c5e6772b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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