Hydrochloric Acid → Ethyl-3-[[4-[[4-(aminoimino-methyl)phenyl]amino]-1,4-dioxobutyl]amino]propanoate

HRID 93359

Reaction equation

HRID 93359 reaction equation
[CH2:35]([CH3:36])[O:37][C:38]([CH2:39][CH2:40][NH2:41])=[O:42].[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[Cl:26][C:27]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33].[ClH:1].[ClH:34].[NH2:2][N:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH2:13][CH2:14][C:15](=[O:16])[OH:17])=[O:18])[cH:9][cH:10]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[NH2:2][N:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH2:13][CH2:14][C:15](=[O:17])[NH:41][CH2:40][CH2:39][C:38]([O:37][CH2:35][CH3:36])=[O:42])=[O:18])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 419889Ethyl 3-aminopropanoateHCID 699510564-[[4-(Aminoiminomethyl)phenyl]amino]-4-oxobutanoic acid

Product 1

HCID 70063547Ethyl-3-[[4-[[4-(aminoimino-methyl)phenyl]amino]-1,4-dioxobutyl]amino]propanoate

Sources & evidence

ORD record
ord-711de76a5e8946008bea64a147381f28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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