Hydrogen Bromide → HCID 178436916, compound

HRID 1200913Notes

Reaction equation

HRID 1200913 reaction equation
[BrH:1].[BrH:2].[BrH:3].[C:75](=[O:76])([O-:77])[OH:78].[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:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:65][c:66]1[cH:67][cH:68][c:69]([C:70](=[O:71])[OH:72])[cH:73][cH:74]1.[Na+:79].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[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:70]([c:69]4[cH:68][cH:67][c:66]([F:65])[cH:74][cH:73]4)=[O:71])[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

10

Reactant 9

HCID 260Hydrogen Bromide3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 99734-Fluorobenzoic AcidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178436901HCID 178436901, compound

Product 1

HCID 178436916HCID 178436916, compound

Sources & evidence

ORD record
ord-ba68ff8b02f14acfa43fb75b78bbb4de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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