Benzene → HCID 178500323, compound

HRID 2135065Notes

Reaction equation

HRID 2135065 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:9][CH:10]([NH:11][C:12]([C:13]([CH2:14][S:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([CH3:23])[CH3:24])=[O:25])[C:26](=[O:27])[OH:28].[CH3:29][O:30][C:31]([CH:32]([NH2:33])[CH2:34][CH2:35][CH2:36][CH2:37][NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46].[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[CH:64]1([N:65]=[C:66]=[N:67][CH:68]2[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]2)[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH:54][n:55]1[c:56]2[c:57]([cH:58][cH:59][cH:60][cH:61]2)[n:62][n:63]1.[cH:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:9][CH:10]([NH:11][C:12]([C:13]([CH2:14][S:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([CH3:23])[CH3:24])=[O:25])[C:26](=[O:27])[NH:33][CH:32]([C:31]([O:30][CH3:29])=[O:46])[CH2:34][CH2:35][CH2:36][CH2:37][NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45]

Participants

9

Reactant 8

HCID 241BenzeneHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 3641241Methyl 2-amino-6-((tert-butoxycarbonyl)amino)hexanoateHCID 1784549643-benzylsulfanyl-2-[(3-benzylsulfanyl-2,2-dimethylpropanoyl)amino]propanoic acid

Product 1

HCID 178500323HCID 178500323, compound

Sources & evidence

ORD record
ord-410f7dc43eef4222b850e097329ab28b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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