Hydrogen Bromide → HCID 178518040, compound

HRID 1148831Notes

Reaction equation

HRID 1148831 reaction equation
[BrH:24].[BrH:25].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[F:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][n:34]2[c:35]([CH2:44][CH:45]3[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]3)[n:36][c:37]3[n:38][cH:39][n:40][c:41]([OH:43])[c:42]23)[cH:31][cH:32]1.[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[O:12]1[CH:13]([CH2:22][OH:23])[CH2:14][O:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[O:12]1[CH:13]([CH2:22][N:48]2[CH2:47][CH2:46][CH:45]([CH2:44][c:35]3[n:34]([CH2:33][c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)[c:42]4[c:37]([n:36]3)[n:38][cH:39][n:40][c:41]4[OH:43])[CH2:50][CH2:49]2)[CH2:14][O:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2

Participants

8

Reactant 7

HCID 260Hydrogen Bromide2×HCID 923Sodium ion2×HCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 193141,4-Benzodioxane-2-methanolHCID 19660Carbonate IonHCID 178518039HCID 178518039, compound

Product 1

HCID 178518040HCID 178518040, compound

Sources & evidence

ORD record
ord-dc56da0d9bd54934b1bafcf427fd4816
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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