Hydrochloric Acid → tert-butyl N-[1-[[1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:24])[OH:25])[CH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1.[CH2:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH:74]([CH3:75])[CH3:76])[CH3:77].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:47][N:48]([CH3:49])[CH2:50][CH:51]1[CH2:52][CH2:53][N:54]([C:57]([CH:58]([CH2:59][c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[NH:66][CH3:67])=[O:68])[CH2:55][CH2:56]1.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Cl:78][CH2:79][Cl:80].[ClH:1].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:25])[N:66]([CH:58]([C:57]([N:54]1[CH2:53][CH2:52][CH:51]([CH2:50][N:48]([CH3:47])[CH3:49])[CH2:56][CH2:55]1)=[O:68])[CH2:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH3:67])[CH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1Participants
10
Reactant 9
HCID 313Hydrochloric Acid
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 8857Ethyl Acetate
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 81531Diisopropylethylamine
HCID 181649HOAt
HCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acid
HCID 223491791-[4-[(Dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)-3-phenylpropan-1-oneProduct 1
Sources & evidence
- ORD record
- ord-efee4fd415364bac9cffd796cc5fbb1a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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