Acetate → 4'-{[6-ethyl-3-(4-isopropoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

HRID 1116903Notes

Reaction equation

HRID 1116903 reaction equation
[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[c:15]([F:28])[cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[nH:9][c:10]2=[O:11])[s:29]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:30]([CH3:31])([CH3:32])[O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[Cl:56][CH2:57][Cl:58].[Cu+2:69].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[c:15]([F:28])[cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[n:9](-[c:37]3[cH:36][cH:35][c:34]([O:33][CH:30]([CH3:31])[CH3:32])[cH:39][cH:38]3)[c:10]2=[O:11])[s:29]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 36987264-Isopropoxybenzeneboronic acidHCID 593515684'-[(6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

Product 1

HCID 593518084'-{[6-ethyl-3-(4-isopropoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-7147b2241ad14fe3879040684a06482e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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