Acetic Acid → HCID 178482114, compound

HRID 291798

Reaction equation

HRID 291798 reaction equation
[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][n:9]1)[c:10]([O:25][CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:11][c:12]2-[c:13]1[c:14]([N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]1.[CH3:37][C:38](=[O:39])[OH:40].[Na+:35].[OH-:34].[OH2:36]>>[c:4]1([OH:34])[n:5][n:6]2[c:7]([cH:8][n:9]1)[c:10]([O:25][CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:11][c:12]2-[c:13]1[c:14]([N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 66711169N-{2-[2-Methanesulfinyl-5-(2-trimethylsilanyl-ethoxymethoxy)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methane sulfonamide

Product 1

HCID 178482114HCID 178482114, compound

Sources & evidence

ORD record
ord-2e138ef0ffff4bd2bc8b0408fca2e989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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