Acetic Acid → Hydrochloric Acid

HRID 1122837Notes

Reaction equation

HRID 1122837 reaction equation
[C:1]([CH3:2])(=[O: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][c:17]2[cH:18][cH:19][c:20]([CH2:23][NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:21][cH:22]2)[cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[C:47]([OH:48])(=[O:49])[CH3:50].[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[ClH:51]>>[C:1]([CH3:2])(=[O: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][c:17]2[cH:18][cH:19][c:20]([CH2:23][NH2:24])[cH:21][cH:22]2)[cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[ClH:51]

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 156702434-(t-Butyloxycarbonylaminomethyl)benzyl 3-[(2-acetylthiomethyl 3-phenylpropionyl)amino]benzoate

Product 2

HCID 313Hydrochloric AcidHCID 15670244[4-(Aminomethyl)phenyl]methyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate

Sources & evidence

ORD record
ord-b37995c71226486092e327912016aa45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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