Hydrochloric Acid → (1-(2-(4-benzyl-4-(N',N'-dimethylhydrazinocarbonyl)piperidine-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamoyl)-1-methylethyl)carbamic acid tert-butyl ester

HRID 2150521Notes

Reaction equation

HRID 2150521 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([C:10](=[O:11])[OH:12])([CH3:13])[CH3:14].[CH2:26]([N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[CH3:36].[CH2:79]([Cl:80])[Cl:81].[CH3:37][N:38]([NH:39][C:40](=[O:41])[C:42]1([CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[CH2:43][CH2:44][N:45]([C:48]([CH:49]([CH2:50][c:51]2[cH:52][nH:53][c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]23)[NH2:60])=[O:61])[CH2:46][CH2:47]1)[CH3:69].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[ClH:25].[OH:15][n:16]1[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([C:10](=[O:12])[NH:60][CH:49]([C:48]([N:45]1[CH2:44][CH2:43][C:42]([C:40]([NH:39][N:38]([CH3:37])[CH3:69])=[O:41])([CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[CH2:47][CH2:46]1)=[O:61])[CH2:50][c:51]1[cH:52][nH:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]12)([CH3:13])[CH3:14]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 2733845N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanineHCID 206947011-(2-amino-3-(1H-indol-3-yl)propionyl)-4-benzylpiperidine-4-carboxylic acid N',N'-dimethylhydrazide

Product 1

HCID 69019306(1-(2-(4-benzyl-4-(N',N'-dimethylhydrazinocarbonyl)piperidine-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamoyl)-1-methylethyl)carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-ff11f9d92b1d4d2491fd6289f0f5e884
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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