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

HRID 1231611Notes

Reaction equation

HRID 1231611 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][C:11](=[CH:12][C:13](=[O:14])[OH:15])[CH3:16])([CH3:17])[CH3:18].[CH2:80]([Cl:81])[Cl:82].[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])[CH:59]([CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[C:67]([NH:68][CH3:69])=[O:70].[CH:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH2:76][CH3:77])([CH3:78])[CH3:79].[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])[NH:8][C:9]([CH2:10][C:11](=[CH:12][C:13](=[O:15])[N:56]([CH:44]([C:43]([N:42]([CH3:41])[CH:59]([CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[C:67]([NH:68][CH3:69])=[O:70])=[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])[CH3:16])([CH3:17])[CH3:18]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 22326951N-methyl-2-methylamino-N-(1-methylcarbamoyl-2-phenylethyl)-3-(2-naphthyl)propionamideHCID 537762243,5-Dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

Product 1

HCID 57181512tert-butyl N-[2,4-dimethyl-6-[methyl-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-6-oxohex-4-en-2-yl]carbamate

Sources & evidence

ORD record
ord-d4250102eb9b4c6aa18b07b188cc955c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…