Hydrochloric Acid → 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-[[2-(dimethylamino)acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]hexanamide

HRID 694471Notes

Reaction equation

HRID 694471 reaction equation
[C:55]([CH3:56])([CH3:57])([CH3:58])[O:59][NH2:60].[CH2:73]([Cl:74])[Cl:75].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:16])[OH:17])[CH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:23]([CH2:24][N:25]([CH3:26])[CH3:27])=[O:28])[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][cH:9]1.[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[CH3:62][N:63]([CH2:64][CH2:65][CH2:66][N:67]=[C:68]=[N:69][CH2:70][CH3:71])[CH3:72].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[ClH:1].[ClH:54].[ClH:61].[OH2:36].[OH:37][SH:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[N:45]=[CH:46]1>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:16])[NH:60][O:59][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:23]([CH2:24][N:25]([CH3:26])[CH3:27])=[O:28])[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][cH:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2777907O-tert-butylhydroxylamineHCID 229070732-[Benzyl-(4-methoxyphenyl)sulfonylamino]-6-[[2-(dimethylamino)acetyl]amino]hexanoic acidHCID 178527226HCID 178527226, compound

Product 1

HCID 229070932-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-[[2-(dimethylamino)acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]hexanamide

Sources & evidence

ORD record
ord-ab79a5fe5b074e3aa942947cf6e97e6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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