Hydrochloric Acid → HCID 178502178, compound

HRID 177614Notes

Reaction equation

HRID 177614 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([CH:7]2[N:8]([C:12]([O:14][C:13]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH2:9][CH2:10][CH2:11]2)[nH:6]1.[CH3:20][O:21][CH:22]([CH:23]([C:24]([OH:25])=[O:26])[NH:27][C:28](=[O:29])[O:30][CH3:31])[CH3:32].[CH3:71][OH:72].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:68][CH2:69][Cl:70].[ClH:19].[Li+:67].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH-:66].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Br:1][c:2]1[cH:3][n:4][c:5]([CH:7]2[N:8]([C:12](=[O:14])[CH:23]([CH:22]([O:21][CH3:20])[CH3:32])[NH:27][C:28](=[O:29])[O:30][CH3:31])[CH2:9][CH2:10][CH2:11]2)[nH:6]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 56605248tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylateHCID 723209323-Methoxy-2-(methoxycarbonylamino)butanoic acid

Product 1

HCID 178502178HCID 178502178, compound

Sources & evidence

ORD record
ord-68fad53417ed4e12904f4f9368e8b4e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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