Ethylene Glycol → HCID 18673916, compound

HRID 675970Notes

Reaction equation

HRID 675970 reaction equation
[C:24]12([CH2:25][S:26]([OH:27])(=[O:28])=[O:29])[C:30]([CH3:31])([CH3:32])[CH:33]([CH2:34][CH2:35]1)[CH2:36][C:37]2=[O:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14]([C:17]([CH3:18])=[O:19])[cH:15][cH:16]2)[n:8][cH:9]1.[OH:20][CH2:21][CH2:22][OH:23].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14]([C:17]3([CH3:18])[O:19][CH2:22][CH2:21][O:20]3)[cH:15][cH:16]2)[n:8][cH:9]1

Participants

5

Reactant 4

HCID 174Ethylene GlycolHCID 241BenzeneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 17405231HCID 17405231, compound

Product 1

HCID 18673916HCID 18673916, compound

Sources & evidence

ORD record
ord-bd6a6723ba6a448f9874ccf44e1211b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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