Potassium Cation → 2-(2-Ethoxyethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

HRID 690982Notes

Reaction equation

HRID 690982 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([NH2:24])[n:6][c:7]([N:13]2[CH2:14][CH2:15][c:16]3[c:17]([cH:20][cH:21][cH:22][cH:23]3)[CH2:18][CH2:19]2)[c:8]([C:11]#[N:12])[c:9]1=[O:10].[CH3:25][S:26]([O:27][CH2:30][CH2:31][O:32][CH2:33][CH3:34])(=[O:28])=[O:29].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[K+:39].[K+:40]>>[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([NH:24][CH2:30][CH2:31][O:32][CH2:33][CH3:34])[n:6][c:7]([N:13]2[CH2:14][CH2:15][c:16]3[c:17]([cH:20][cH:21][cH:22][cH:23]3)[CH2:18][CH2:19]2)[c:8]([C:11]#[N:12])[c:9]1=[O:10]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 15067105HCID 15067105, compoundHCID 22003872HCID 22003872, compound

Product 1

HCID 220040612-(2-Ethoxyethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-42fd63af3be84873bcb1b27b70e393d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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