Bromide ion → HCID 178431828, compound

HRID 2144574Notes

Reaction equation

HRID 2144574 reaction equation
[Br-:79].[CH3:37][O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:85][CH2:86][CH2:87][CH2:88][CH2:89][CH3:90].[CH:81]([Cl:82])([Cl:83])[Cl:84].[K+:80].[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[n:11][n:12][n:13][n:14]3[CH2:15][c:16]3[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:24]1=[O:25].[Na+:53].[OH-:52].[OH2:91].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([O-:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[c:54]1([CH2:60][C:61](=[O:62])[NH:63][CH:64]2[CH:65]3[N:66]([CH:67]([c:72]4[n:73][n:74][n:75][nH:76]4)[C:68]([CH3:70])([CH3:71])[S:69]3)[C:77]2=[O:78])[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[nH:11][n:12][n:13][n:14]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:24]1=[O:25].[c:54]1([CH2:60][C:61](=[O:62])[NH:63][CH:64]2[CH:65]3[N:66]([CH:67]([c:72]4[nH:73][n:74][n:75][n:76]4)[C:68]([CH3:70])([CH3:71])[S:69]3)[C:77]2=[O:78])[cH:55][cH:56][cH:57][cH:58][cH:59]1

Participants

14

Reactant 12

HCID 259Bromide ionHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 8058HexaneHCID 85570p-ToluenesulfonateHCID 203814726-Amino-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-oneHCID 178431828HCID 178431828, compound

Product 2

HCID 178431828HCID 178431828, compoundHCID 178431850HCID 178431850, compound

Sources & evidence

ORD record
ord-8fa917139b1b40bebd1c72aea517650a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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