1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhex yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

HRID 823973Notes

Reaction equation

HRID 823973 reaction equation
[CH3:24][O:25][C:26](=[O:27])[NH:28][CH:29]([C:30](=[O:31])[OH:32])[CH:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66].[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[CH2:22][OH:23])[cH:6][cH:7]1.[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:30]([CH:29]([NH:28][C:26]([O:25][CH3:24])=[O:27])[CH:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:31])[CH2:22][OH:23])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 180089872-(Methoxycarbonylamino)-3,3-diphenylpropanoic acidHCID 180090254-amino-N-(6-amino-1-hydroxyhexan-2-yl)-N-(2-methylpropyl)benzenesulfonamide

Product 1

HCID 66790756N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhex yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide

Sources & evidence

ORD record
ord-c12e9468c6034a5fa96b32fd51245f5d
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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