Hydrochloric Acid → HCID 59263315, compound

HRID 675633Notes

Reaction equation

HRID 675633 reaction equation
[C:33]([O:34][CH3:35])([CH3:36])([CH3:37])[CH3:38].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([O:18][CH:19]([CH2:20][O:21][CH3:22])[CH3:23])[cH:17]2)[cH:24][cH:25]1.[CH3:30][CH2:31][OH:32].[ClH:29].[Na+:28].[OH-:27].[OH2:26]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([C:13](=[O:26])[OH:27])[cH:15][c:16]([O:18][CH:19]([CH2:20][O:21][CH3:22])[CH3:23])[cH:17]2)[cH:24][cH:25]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15413tert-Butyl methyl etherHCID 592633073-(4-Methanesulfonyl-phenoxy)-5-(2-methoxy-1-methyl-ethoxy)benzonitrile

Product 1

HCID 59263315HCID 59263315, compound

Sources & evidence

ORD record
ord-3f83e7b1e63843deb127ce3cde491086
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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