Hydrochloric Acid → Hydrochloric Acid

HRID 679585Notes

Reaction equation

HRID 679585 reaction equation
[Al+3:2].[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[ClH:26].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[N:7](=[O:8])[N:9]1[CH2:10][CH2:11][S:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2.[Na+:19].[Na+:20].[O-:21][S:22](=[O:23])(=[O:24])[O-:25]>>[ClH:26].[NH2:7][N:9]1[CH2:10][CH2:11][S:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 218596124-nitroso-3,4-dihydro-2H-benzo[b][1,4]thiazine

Product 2

HCID 313Hydrochloric AcidHCID 218596142,3-dihydro-4H-1,4-benzothiazin-4-amine

Sources & evidence

ORD record
ord-2978fe5889094ddd8b0f5ff8add96fd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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