Hydrochloric Acid → Hydrochloric Acid

HRID 197321Notes

Reaction equation

HRID 197321 reaction equation
[CH2:2]([CH2:3][CH3:4])[N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][n:14]1)[CH2:15][CH2:16][CH3:17].[CH2:76]([Cl:77])[Cl:78].[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[ClH:1].[NH2:52][CH:53]([CH:54]([CH2:55][NH:56][CH2:57][c:58]1[cH:59][c:60]([CH2:64][CH3:65])[cH:61][cH:62][cH:63]1)[OH:66])[CH2:67][c:68]1[cH:69][c:70]([F:75])[cH:71][c:72]([F:74])[cH:73]1.[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH2:2]([CH2:3][CH3:4])[N:5]([c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:52][CH:53]([CH:54]([CH2:55][NH:56][CH2:57][c:58]2[cH:59][c:60]([CH2:64][CH3:65])[cH:61][cH:62][cH:63]2)[OH:66])[CH2:67][c:68]2[cH:69][c:70]([F:75])[cH:71][c:72]([F:74])[cH:73]2)[cH:12][cH:13][n:14]1)[CH2:15][CH2:16][CH3:17].[ClH:1]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21085461HCID 21085461, compoundHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 2

HCID 313Hydrochloric AcidHCID 21086566HCID 21086566, compound

Sources & evidence

ORD record
ord-a49c5357fe1942bfaa8080acdc566005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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