Hydrogen Bromide → HCID 178436915, compound

HRID 672903Notes

Reaction equation

HRID 672903 reaction equation
[BrH:1].[BrH:2].[BrH:3].[C:32](#[N:33])[c:34]1[n:35][cH:36][c:37]([C:38](=[O:39])[Cl:40])[cH:41][cH:42]1.[C:52](=[O:53])([O-:54])[OH:55].[CH2:4]([CH3:5])[c:6]1[c:7](-[c:14]2[cH:15][cH:16][c:17]3[c:18](-[c:23]4[nH:24][c:25]5[c:26]([n:31]4)[CH2:27][NH:28][CH2:29][CH2:30]5)[n:19][nH:20][c:21]3[cH:22]2)[cH:8][c:9]([F:13])[c:10]([OH:12])[cH:11]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Na+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:4]([CH3:5])[c:6]1[c:7](-[c:14]2[cH:15][cH:16][c:17]3[c:18](-[c:23]4[nH:24][c:25]5[c:26]([n:31]4)[CH2:27][N:28]([C:38]([c:37]4[cH:36][n:35][c:34]([C:32]#[N:33])[cH:42][cH:41]4)=[O:39])[CH2:29][CH2:30]5)[n:19][nH:20][c:21]3[cH:22]2)[cH:8][c:9]([F:13])[c:10]([OH:12])[cH:11]1

Participants

8

Reactant 7

HCID 260Hydrogen Bromide3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 235126576-Cyanopyridine-3-carbonyl chlorideHCID 178436901HCID 178436901, compound

Product 1

HCID 178436915HCID 178436915, compound

Sources & evidence

ORD record
ord-d41037c1c8fd4e89ad0a3c7fa1f7a73e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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