Chloride → N-Methyl-2-(phenylthio)benzylamine

HRID 172187Notes

Reaction equation

HRID 172187 reaction equation
[Al+3:2].[Al+3:8].[C:28]([OH:29])(=[O:30])[CH:31]=[CH:32][C:33]([O-:34])=[O:35].[CH3:11][NH:12][C:13]([c:14]1[c:15]([S:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:16][cH:17][cH:18][cH:19]1)=[O:27].[CH3:44][CH2:45][OH:46].[Cl-:10].[Cl-:7].[Cl-:9].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[OH2:47].[OH:36][C:37]([CH:38]=[CH:39][C:40](=[O:41])[OH:42])=[O:43]>>[CH3:11][NH:12][CH2:13][c:14]1[c:15]([S:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:16][cH:17][cH:18][cH:19]1

Participants

10

Reactant 9

HCID 312Chloride3×HCID 702EthanolHCID 7232-Butenedioic acidHCID 962WaterHCID 28486Lithium ionHCID 104727Aluminum Cation2×HCID 166653Hydride4×HCID 320119N-methyl-2-(phenylthio)benzamideHCID 4677796Hydrogen butenedioate

Product 1

HCID 14400280N-Methyl-2-(phenylthio)benzylamine

Sources & evidence

ORD record
ord-edda299848e544f48b77b620aa851da1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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