Dimethyl Sulfoxide → 4'-{[6-ethyl-3-(1-methyl-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 2317746Notes

Reaction equation

HRID 2317746 reaction equation
[C:1]([Cl:2])(=[O:3])[C:4]([Cl:5])=[O:6].[CH2:11]([CH3:12])[c:13]1[cH:14][c:15]2[c:16]([n:17]([CH2:27][c:28]3[cH:29][cH:30][c:31](-[c:34]4[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]4)[cH:32][cH:33]3)[c:18](=[O:26])[n:19]([CH:22]([CH2:23][OH:24])[CH3:25])[c:20]2=[O:21])[s:42]1.[CH2:50]([Cl:51])[Cl:52].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:7][S:8](=[O:9])[CH3:10]>>[CH2:11]([CH3:12])[c:13]1[cH:14][c:15]2[c:16]([n:17]([CH2:27][c:28]3[cH:29][cH:30][c:31](-[c:34]4[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]4)[cH:32][cH:33]3)[c:18](=[O:26])[n:19]([CH:22]([CH:23]=[O:24])[CH3:25])[c:20]2=[O:21])[s:42]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 593516824'-{[6-ethyl-3-(2-hydroxy-1-methylethyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 593515604'-{[6-ethyl-3-(1-methyl-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-0ca904dd0f7544bd9078d02030f106c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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