Chloride → HCID 178504535, compound

HRID 1216731Notes

Reaction equation

HRID 1216731 reaction equation
[C:1]([O:2][CH:5]1[CH:6]([CH:10]([CH2:11][O:12][SiH:13]([CH3:14])[CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C:7](=[O:9])[NH:8]1)(=[O:3])[CH3:4].[C:21]([c:22]1[cH:23][n:24][cH:25][cH:26][cH:27]1)(=[S:28])[OH:29].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl-:43].[Cl-:45].[Na:20].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH2:42].[Zn+2:44]>>[CH:5]1([S:28][C:21]([c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)=[O:29])[CH:6]([CH:10]([CH2:11][O:12][SiH:13]([CH3:14])[CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C:7](=[O:9])[NH:8]1

Participants

9

Reactant 8

HCID 312Chloride2×HCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 32051Zinc(2+)HCID 5360545SodiumHCID 173232100[3-(1-Dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetateHCID 178526139HCID 178526139, compound

Product 1

HCID 178504535HCID 178504535, compound

Sources & evidence

ORD record
ord-eeaff76b5ecd4090a62e140f29b9778f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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