Hydrogen Bromide → HCID 178436938, compound

HRID 94495Notes

Reaction equation

HRID 94495 reaction equation
[BrH:1].[BrH:2].[BrH:3].[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].[F:32][c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:37][cH:38]1.[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]([S:39]([c:36]4[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]4)(=[O:40])=[O:41])[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 95884-Fluorobenzenesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 178436901HCID 178436901, compound

Product 1

HCID 178436938HCID 178436938, compound

Sources & evidence

ORD record
ord-340a04f44a61434898fed2d6c6828eb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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