Hydrochloric Acid → 4-Isothiocyanatobenzeneacetic acid

HRID 1130149Notes

Reaction equation

HRID 1130149 reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[ClH:23].[I:22].[NH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:13])[OH:14])[cH:9][cH:10]1.[Na+:28].[Na+:29].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:41].[S:1]=[C:2]=[S:3].[S:24]([O-:25])([O-:26])=[O:27]>>[C:2](=[S:3])=[N:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:13])[OH:14])[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 6348Carbon DisulfideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 145334-Aminophenylacetic acidHCID 24841Hydrogen iodide

Product 1

HCID 109433474-Isothiocyanatobenzeneacetic acid

Sources & evidence

ORD record
ord-fcc80c85758c4b48bb0612f75fc29242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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