Hydrochloric Acid → tert-butyl N-[1-[3-[methyl-[1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]phenyl]ethyl]carbamate

HRID 209379Notes

Reaction equation

HRID 209379 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH3:10])[c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]1.[CH2:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH:72]([CH3:73])[CH3:74])[CH3:75].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:42][N:43]([C:44]([CH:45]([CH2:46][c:47]1[cH:48][c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[cH:55][cH:56]1)[NH:57][CH3:58])=[O:59])[CH2:60][CH2:61][c:62]1[s:63][cH:64][cH:65][cH:66]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[Cl:76][CH2:77][Cl:78].[ClH:30].[OH:20][n:21]1[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH3:10])[c:11]1[cH:12][c:13]([C:14](=[O:16])[N:57]([CH:45]([C:44]([N:43]([CH3:42])[CH2:60][CH2:61][c:62]2[s:63][cH:64][cH:65][cH:66]2)=[O:59])[CH2:46][c:47]2[cH:48][c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]3[cH:55][cH:56]2)[CH3:58])[cH:17][cH:18][cH:19]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 223270393-(1-((tert-Butoxycarbonyl)amino)ethyl)benzoic acidHCID 178483153HCID 178483153, compound

Product 1

HCID 20677515tert-butyl N-[1-[3-[methyl-[1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]phenyl]ethyl]carbamate

Sources & evidence

ORD record
ord-fea01c99465049a88cbe6fd22da8943d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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