Sodium ion → HCID 18334006, compound

HRID 698175Notes

Reaction equation

HRID 698175 reaction equation
[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Na+:2].[Na+:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[O:3]1[CH:4]([O:9][N:10]2[C:11](=[O:28])[CH:12]([CH2:15][CH:16]3[CH2:17][CH2:18][CH:19]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:20][CH2:21]3)[CH:13]2[CH3:14])[CH2:5][CH2:6][CH2:7][CH2:8]1.[OH-:1].[OH2:29].[S:30](=[O:31])([O-:32])([OH:33])=[O:34]>>[O:3]1[CH:4]([O:9][NH:10][CH:13]([CH:12]([C:11]([OH:28])=[O:31])[CH2:15][CH:16]2[CH2:17][CH2:18][CH:19]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[CH3:14])[CH2:5][CH2:6][CH2:7][CH2:8]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 61778Sulfate, hydrogenHCID 18333974HCID 18333974, compound

Product 1

HCID 18334006HCID 18334006, compound

Sources & evidence

ORD record
ord-1ca22b14b10845c39d7714aec50f9143
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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