Hydrochloric Acid → Hydrochloric Acid

HRID 1115351Notes

Reaction equation

HRID 1115351 reaction equation
[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14](-[c:16]2[n:17][o:18][c:19]([CH3:21])[n:20]2)[cH:15]1)[CH2:22][CH2:23][CH3:24].[CH2:94]([Cl:95])[Cl:96].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[ClH:68].[ClH:69].[NH2:70][CH:71]([CH:72]([CH2:73][NH:74][CH2:75][c:76]1[cH:77][c:78]([CH2:82][CH3:83])[cH:79][cH:80][cH:81]1)[OH:84])[CH2:85][c:86]1[cH:87][c:88]([F:93])[cH:89][c:90]([F:92])[cH:91]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:70][CH:71]([CH:72]([CH2:73][NH:74][CH2:75][c:76]2[cH:77][c:78]([CH2:82][CH3:83])[cH:79][cH:80][cH:81]2)[OH:84])[CH2:85][c:86]2[cH:87][c:88]([F:93])[cH:89][c:90]([F:92])[cH:91]2)[cH:13][c:14](-[c:16]2[n:17][o:18][c:19]([CH3:21])[n:20]2)[cH:15]1)[CH2:22][CH2:23][CH3:24].[ClH:68]

Participants

10

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210857883-[(Dipropylamino)carbonyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic AcidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 2

HCID 313Hydrochloric AcidHCID 178457277HCID 178457277, compound

Sources & evidence

ORD record
ord-f2932afd5fac4d8b9fe68b703d877571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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