Choline → Choline

HRID 678938Notes

Reaction equation

HRID 678938 reaction equation
[CH3:1][N+:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][OH:7].[CH:11]12[S:12][C:13]([CH3:14])([CH3:15])[CH:16]([C:33]([OH:34])=[O:35])[N:17]1[C:18](=[O:19])[CH:20]2[NH:21][C:22](=[O:23])[CH:24]([NH2:25])[c:26]1[cH:27][cH:28][c:29]([OH:30])[cH:31][cH:32]1.[OH2:10].[OH2:36].[OH2:8].[OH2:9]>>[CH3:1][N+:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][OH:7].[CH:11]12[S:12][C:13]([CH3:14])([CH3:15])[CH:16]([C:33](=[O:34])[OH:35])[N:17]1[C:18](=[O:19])[CH:20]2[NH:21][C:22](=[O:23])[CH:24]([NH2:25])[c:26]1[cH:27][cH:28][c:29]([OH:30])[cH:31][cH:32]1

Participants

5

Reactant 3

HCID 305CholineHCID 962Water4×HCID 21716-(2-Amino(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Product 2

HCID 305CholineHCID 21716-(2-Amino(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Sources & evidence

ORD record
ord-4ec1eee9e388479d8841c6608939ef4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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