Hydrogen Bromide → HCID 178474220, compound

HRID 87220Notes

Reaction equation

HRID 87220 reaction equation
[BrH:1].[C:22]([CH3:23])(=[O:24])[NH:25][c:26]1[n:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]3[c:16]([cH:17]2)[N:15]=[C:14]([NH2:18])[N:13]2[C:12]3=[N:21][CH2:20][CH2:19]2)[CH2:6][CH2:7]1>>[O:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]3[c:16]([cH:17]2)[N:15]=[C:14]([NH:18][C:30]([c:29]2[cH:28][n:27][c:26]([NH:25][C:22]([CH3:23])=[O:24])[cH:34][cH:33]2)=[O:31])[N:13]2[C:12]3=[N:21][CH2:20][CH2:19]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 4197446-(Acetylamino)nicotinic acidHCID 178508199HCID 178508199, compound

Product 1

HCID 178474220HCID 178474220, compound

Sources & evidence

ORD record
ord-930c992775424b03ba22ca53ee1e7e99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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