Hydrochloric Acid → 4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-tert-butoxycarbonyl-3-piperidinol

HRID 2131234Notes

Reaction equation

HRID 2131234 reaction equation
[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[ClH:46].[NH2:1][CH:2]1[CH:3]([OH:15])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[o:16]1[c:17]([C:25](=[O:26])[NH:27][C:28]2([C:34](=[O:35])[OH:36])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:18][c:19]2[c:20]1[cH:21][cH:22][cH:23][cH:24]2>>[NH:1]([CH:2]1[CH:3]([OH:15])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1)[C:34]([C:28]1([NH:27][C:25]([c:17]2[o:16][c:20]3[c:19]([cH:18]2)[cH:24][cH:23][cH:22][cH:21]3)=[O:26])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)=[O:35]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 21874161tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylateHCID 246996681-[(1-Benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid

Product 1

HCID 693100664-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-tert-butoxycarbonyl-3-piperidinol

Sources & evidence

ORD record
ord-352f65a196a244ec9786c1c428c27480
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…