Hydrochloric Acid → HCID 178472129, compound

HRID 100392

Reaction equation

HRID 100392 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]([O:19][CH:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:15]([NH2:16])[cH:17][cH:18]2)[n:9][cH:10]1.[CH3:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[C:38](=[O:39])[CH3:40].[CH3:44][CH2:45][OH:46].[CH3:47][C:48]#[N:49].[ClH:26].[K+:42].[N:27]([O-:28])=[O:29].[Na+:30].[OH-:41].[OH2:43]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]([O:19][CH:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:15]([NH:16][N:27]=[C:32]([CH3:31])[C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:17][cH:18]2)[n:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 701Ethyl 2-methylacetoacetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 667259784-{[5-(Methylsulfonyl)pyridin-2-yl]oxy}-2-(tetrahydro-2H-pyran-4-yloxy)aniline

Product 1

HCID 178472129HCID 178472129, compound

Sources & evidence

ORD record
ord-b02a943923a046a2869a4a7751d00a6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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