Acetone → Ethyl cyano-[[[2'-[[[(dimethylamino)methylene]amino]sulfonyl](1,1'-biphenyl)4-yl]methyl](1-oxopentyl)amino]acetate

HRID 191546Notes

Reaction equation

HRID 191546 reaction equation
[C:14](#[N:15])[CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[NH:22][CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([S:36](=[O:37])(=[O:38])[N:39]=[CH:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34][cH:35]2)[cH:28][cH:29]1.[C:1](=[O:2])([O-:3])[O-:4].[C:7]([CH2:8][CH2:9][CH2:10][CH3:11])(=[O:12])[Cl:13].[CH3:44][C:45](=[O:46])[CH3:47].[K+:5].[K+:6]>>[C:7]([CH2:8][CH2:9][CH2:10][CH3:11])(=[O:12])[N:22]([CH:16]([C:14]#[N:15])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([S:36](=[O:37])(=[O:38])[N:39]=[CH:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34][cH:35]2)[cH:28][cH:29]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 61186Valeryl chlorideHCID 54173271HCID 54173271, compound

Product 1

HCID 53759157Ethyl cyano-[[[2'-[[[(dimethylamino)methylene]amino]sulfonyl](1,1'-biphenyl)4-yl]methyl](1-oxopentyl)amino]acetate

Sources & evidence

ORD record
ord-9715f8c44ec947f58b23a30ec1b8391c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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