Sodium ion → HCID 59351832, compound

HRID 1130573Notes

Reaction equation

HRID 1130573 reaction equation
[C:29]12([C:39]([CH2:40][Br:41])=[O:42])[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]([CH2:36]1)[CH2:37]3)[CH2:38]2.[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][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:28]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[H-:48].[Na+:49]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][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]([CH2:40][C:39]([C:29]34[CH2:30][CH:31]5[CH2:32][CH:33]([CH2:34][CH:35]([CH2:36]3)[CH2:37]5)[CH2:38]4)=[O:42])[c:10]2=[O:11])[s:28]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 197820Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketoneHCID 593517704'-[(6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 59351832HCID 59351832, compound

Sources & evidence

ORD record
ord-98edcc159e3342cda53eb3523e79d23d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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