Hydrochloric Acid → tert-butyl N-methyl-N-[2-methyl-6-[methyl-[1-[methyl(2-phenylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-6-oxohex-4-en-2-yl]carbamate

HRID 1539652Notes

Reaction equation

HRID 1539652 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].[CH2:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH:72]([CH3:73])[CH3:74])[CH3:75].[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:41][N:42]([C:43]([CH:44]([CH2:45][c:46]1[cH:47][c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[cH:54][cH:55]1)[NH:56][CH3:57])=[O:58])[CH2:59][CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[Cl:81][CH2:82][Cl:83].[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>>[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:56]([CH:44]([C:43]([N:42]([CH3:41])[CH2:59][CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:58])[CH2:45][c:46]1[cH:47][c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[cH:54][cH:55]1)[CH3:57])([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 178483147HCID 178483147, compound

Product 1

HCID 57121403tert-butyl N-methyl-N-[2-methyl-6-[methyl-[1-[methyl(2-phenylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-6-oxohex-4-en-2-yl]carbamate

Sources & evidence

ORD record
ord-3d3f3923cd684045a2a3b8b8e9d1c65e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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