N,N'-Dimethylethylenediamine → (2-Bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1 (9),2 (7),3-trien-5-yl}phenyl)methyl acetate

HRID 689405Notes

Reaction equation

HRID 689405 reaction equation
[C:15]([CH3:16])(=[O:17])[O:18][CH2:19][c:20]1[c:21]([Br:28])[cH:22][c:23]([F:27])[cH:24][c:25]1[Br:26].[C:35](=[O:36])([O-:37])[O-:38].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:29][NH:30][CH2:31][CH2:32][NH:33][CH3:34].[Cs+:39].[Cs+:40].[Cu:41][I:42].[c:1]12[c:2]3[cH:3][n:4][nH:5][c:6](=[O:14])[c:7]3[s:8][c:9]1[CH2:10][CH2:11][CH2:12][CH2:13]2>>[c:1]12[c:2]3[cH:3][n:4][n:5](-[c:21]4[c:20]([CH2:19][O:18][C:15]([CH3:16])=[O:17])[c:25]([Br:26])[cH:24][c:23]([F:27])[cH:22]4)[c:6](=[O:14])[c:7]3[s:8][c:9]1[CH2:10][CH2:11][CH2:12][CH2:13]2

Participants

8

Reactant 7

HCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 670165536,7,8,9-Tetrahydrobenzo[4,5]thieno[2,3-d]pyridazin-4(3H)-oneHCID 670165932,6-Dibromo-4-fluorobenzyl acetate

Product 1

HCID 58044224(2-Bromo-4-fluoro-6-{6-oxo-8-thia-4,5-diazatricyclo[7.4.0.02,7]trideca-1 (9),2 (7),3-trien-5-yl}phenyl)methyl acetate

Sources & evidence

ORD record
ord-db494946f9994a079315ef5b36299464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…