Sodium ion → 2-[[4-(Carboxymethyl)-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid

HRID 310466Notes

Reaction equation

HRID 310466 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH:16]1[C:17](=[O:32])[N:18]([CH2:28][C:29](=[O:30])[OH:31])[CH:19]([c:23]2[s:24][cH:25][cH:26][cH:27]2)[CH2:20][S:21][CH2:22]1.[Na+:34].[OH-:33]>>[O:3]=[C:4]([OH:5])[CH:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH:16]1[C:17](=[O:32])[N:18]([CH2:28][C:29](=[O:30])[OH:31])[CH:19]([c:23]2[s:24][cH:25][cH:26][cH:27]2)[CH2:20][S:21][CH2:22]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 138779542-[6-[(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

Product 1

HCID 138779572-[[4-(Carboxymethyl)-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid

Sources & evidence

ORD record
ord-fd6cb56e01224ef3917a7248ac4c3b15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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