Hydrochloric Acid → tert-butyl N-[6-[[1-[2-[2-(2-hydroxyethoxy)phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]-N-methylcarbamate

HRID 117699Notes

Reaction equation

HRID 117699 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[C:10]([CH2:11][CH:12]=[CH:13][C:14](=[O:15])[OH:16])([CH3:17])[CH3:18].[CH2:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH:76]([CH3:77])[CH3:78])[CH3:79].[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[Cl:85][CH2:86][Cl:87].[ClH:29].[OH:19][n:20]1[c:21]2[n:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1.[OH:41][CH2:42][CH2:43][O:44][c:45]1[c:46]([CH2:51][CH2:52][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:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[C:10]([CH2:11][CH:12]=[CH:13][C:14](=[O:16])[N:67]([CH:55]([C:54]([N:53]([CH2:52][CH2:51][c:46]1[c:45]([O:44][CH2:43][CH2:42][OH:41])[cH:50][cH:49][cH:48][cH:47]1)[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])([CH3:17])[CH3:18]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 540073045-Methyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hex-2-enoic acidHCID 178483152HCID 178483152, compound

Product 1

HCID 57109147tert-butyl N-[6-[[1-[2-[2-(2-hydroxyethoxy)phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]-N-methylcarbamate

Sources & evidence

ORD record
ord-d834dd5cbc7e46838068c32988211ee2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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