Hydrogen Bromide → HCID 178522477, compound

HRID 2162880Notes

Reaction equation

HRID 2162880 reaction equation
[BrH:47].[C:65](=[O:66])([OH:67])[O-:68].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:12])[OH:13])[n:10]2.[Cl:48][c:49]1[cH:50][c:51](-[c:55]2[cH:56][c:57]3[c:58]([nH:59][c:60]([NH2:62])[n:61]3)[cH:63][cH:64]2)[cH:52][cH:53][cH:54]1.[Na+:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:13])[NH:62][c:60]1[nH:59][c:58]3[c:57]([cH:56][c:55](-[c:51]4[cH:50][c:49]([Cl:48])[cH:54][cH:53][cH:52]4)[cH:64][cH:63]3)[n:61]1)[n:10]2

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27946376-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acidHCID 1785081516-(3-chlorophenyl)-1H-benzimidazol-2-amine

Product 1

HCID 178522477HCID 178522477, compound

Sources & evidence

ORD record
ord-f7f9f50fada94c4ca03bb4f91ad96338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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