Acetone → HCID 136140515, compound

HRID 2311977Notes

Reaction equation

HRID 2311977 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1.[C:14](=[O:15])=[O:16].[C:22]([CH3:23])([CH3:24])([CH3:25])[n:26]1[n:27][c:28]([CH:45]2[CH2:46][C:47](=[O:49])[CH2:48]2)[c:29]2[c:30]1[NH:31][C:32](=[O:44])[CH2:33][CH:34]2[c:35]1[c:36]([F:43])[cH:37][c:38]([F:42])[c:39]([F:41])[cH:40]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:10][C:11](=[O:12])[CH3:13].[CH3:17][CH2:18][CH2:19][CH2:20][Li:21]>>[c:2]1([C:47]2([OH:49])[CH2:46][CH:45]([c:28]3[n:27][n:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:30]4[c:29]3[CH:34]([c:35]3[c:36]([F:43])[cH:37][c:38]([F:42])[c:39]([F:41])[cH:40]3)[CH2:33][C:32](=[O:44])[NH:31]4)[CH2:48]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 280Carbon DioxideHCID 8028TetrahydrofuranHCID 233813-BromobenzonitrileHCID 136140514HCID 136140514, compoundHCID 178418339Butyllithium

Product 1

HCID 136140515HCID 136140515, compound

Sources & evidence

ORD record
ord-9a5cbb2c7dff4efc92b3c5b87babb8af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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