Bromide ion → [4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-2-isopropylphenyl]cyanamide

HRID 94992Notes

Reaction equation

HRID 94992 reaction equation
[Br-:44].[Br:1][c:2]1[cH:3][c:4]([CH:11]([CH3:12])[CH3:13])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1.[C:25](=[O:26])([O-:27])[O-:28].[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:14][n:15]1[c:16]([B:22]([OH:23])[OH:24])[cH:17][cH:18][c:19]1[C:20]#[N:21].[K+:29].[K+:30]>>[c:2]1(-[c:16]2[n:15]([CH3:14])[c:19]([C:20]#[N:21])[cH:18][cH:17]2)[cH:3][c:4]([CH:11]([CH3:12])[CH3:13])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 11708078(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acidHCID 71423726[4-Bromo-2-(propan-2-yl)phenyl]cyanamide

Product 1

HCID 16037642[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-2-isopropylphenyl]cyanamide

Sources & evidence

ORD record
ord-96b605ea505845fa95ad8bbbe4ab270e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…