Hydrochloric Acid → Ethyl 3-[(2-mercaptomethyl-3-phenylpropionyl)amino]benzoate

HRID 134876Notes

Reaction equation

HRID 134876 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19][cH:20]1)[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH2:28]1[CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:34][C:35]#[N:36].[ClH:33]>>[SH:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19][cH:20]1)[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 31268PyrrolidineHCID 15670143Ethyl 3-[(2-acetylthiomethyl-3-phenylpropionyl)amino]benzoate

Product 1

HCID 15670251Ethyl 3-[(2-mercaptomethyl-3-phenylpropionyl)amino]benzoate

Sources & evidence

ORD record
ord-a6ac6c76f40745e99a9db09faba0a77c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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