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

HRID 2133762Notes

Reaction equation

HRID 2133762 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].[CH2:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH:71]([CH3:72])[CH3:73])[CH3:74].[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[s:62][cH:63][cH:64][cH:65]1.[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[Cl:75][CH2:76][Cl:77].[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[s:62][cH:63][cH:64][cH:65]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 178483153HCID 178483153, compound

Product 1

HCID 56994736tert-butyl N-methyl-N-[2-methyl-6-[methyl-[1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-6-oxohex-4-en-2-yl]carbamate

Sources & evidence

ORD record
ord-51bf431117f74bf8b274473101b38c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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