Dimethylformamide → Methyl 2-[[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]acetate

HRID 152268Notes

Reaction equation

HRID 152268 reaction equation
[Br:45][CH2:46][C:47](=[O:48])[O:49][CH3:50].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[CH2:46][C:47](=[O:48])[O:49][CH3:50]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 60984Methyl bromoacetateHCID 18009027Bes(4-NH2)-DL-N(iBu)Orn(1)-ol.H-DL-1Nal-(1)

Product 1

HCID 67532279Methyl 2-[[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]acetate

Sources & evidence

ORD record
ord-e7336d9a7d744e21a8e19f78aa9541f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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