Potassium Cation → 5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-imidazole-2-thione

HRID 663844Notes

Reaction equation

HRID 663844 reaction equation
[Al+3:22].[C:1](#[N:2])[c:3]1[cH:4][nH:5][c:6](=[S:20])[n:7]1[CH:8]1[CH2:9][c:10]2[cH:11][c:12]([F:19])[cH:13][c:14]([F:18])[c:15]2[CH2:16][CH2:17]1.[C:27]([CH:28]([CH:29]([C:30]([O-:31])=[O:32])[OH:33])[OH:34])([O-:35])=[O:36].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:46]([Cl:47])[Cl:48].[CH3:39][OH:40].[H-:21].[H-:24].[H-:25].[H-:26].[K+:37].[Li+:23].[Na+:38].[OH2:49]>>[CH2:1]([NH2:2])[c:3]1[cH:4][nH:5][c:6](=[S:20])[n:7]1[CH:8]1[CH2:9][c:10]2[cH:11][c:12]([F:19])[cH:13][c:14]([F:18])[c:15]2[CH2:16][CH2:17]1

Participants

12

Reactant 11

HCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 38061142,3-DihydroxybutanedioateHCID 196993915-Cyano-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione

Product 1

HCID 63670795-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-imidazole-2-thione

Sources & evidence

ORD record
ord-6cbd998860ca4961bc4e23b653878894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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