Hydrochloric Acid → tert-butyl N-[1-[2-[[1-[[3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-oxoethoxy]-2-methylpropan-2-yl]carbamate

HRID 319738Notes

Reaction equation

HRID 319738 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:14])[OH:15])([CH3:16])[CH3:17].[CH2:80]([Cl:81])[Cl:82].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH2:76][CH3:77])([CH3:78])[CH3:79].[ClH:28].[F:40][c:41]1[c:42]([CH2:47][CH:48]([C:49]([NH:50][CH3:51])=[O:52])[N:53]([C:54]([CH:55]([CH2:56][c:57]2[cH:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[cH:65][cH:66]2)[NH:67][CH3:68])=[O:69])[CH3:70])[cH:43][cH:44][cH:45][cH:46]1.[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:15])[N:67]([CH:55]([C:54]([N:53]([CH:48]([CH2:47][c:42]1[c:41]([F:40])[cH:46][cH:45][cH:44][cH:43]1)[C:49]([NH:50][CH3:51])=[O:52])[CH3:70])=[O:69])[CH2:56][c:57]1[cH:58][c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[cH:65][cH:66]1)[CH3:68])([CH3:16])[CH3:17]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 10776871(2-Bocamino-2-methyl-propoxy)-acetic acidHCID 22327011N-[2-(2-Fluorophenyl)-1-methylcarbamoylethyl]-N-methyl-2-methylamino-3-(2-naphthyl)propionamide

Product 1

HCID 20827603tert-butyl N-[1-[2-[[1-[[3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-oxoethoxy]-2-methylpropan-2-yl]carbamate

Sources & evidence

ORD record
ord-e0d029e32a984dd6917a5712db5ed8ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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