Hydrochloric Acid → Hydrochloric Acid

HRID 191773Notes

Reaction equation

HRID 191773 reaction equation
[C:2](=[O:3])([OH:4])[CH2:5][N:6]1[C:7](=[O:25])[CH:8]([NH:17][CH:18]([CH3:19])[C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:9][S:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[ClH:1].[ClH:28].[Na+:27].[OH-:26].[OH2:29]>>[C:2](=[O:3])([OH:4])[CH2:5][N:6]1[C:7](=[O:25])[CH:8]([NH:17][CH:18]([CH3:19])[C:20](=[O:21])[OH:22])[CH2:9][S:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[ClH:1]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 134545772-[3-[(1-Ethoxy-1-oxopropan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid

Product 2

HCID 313Hydrochloric AcidHCID 202675672-[[5-(Carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid

Sources & evidence

ORD record
ord-792c43c87eb24da89a8059223bf0c8ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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