Ethanol → N-(4-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-2-ylthio)methyl)phenyl)acetamide

HRID 2133210Notes

Reaction equation

HRID 2133210 reaction equation
[C:25]([CH3:26])(=[O:27])[NH:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][Cl:34])[cH:35][cH:36]1.[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5](=[S:24])[nH:6][c:7]2[c:12]([c:13]1=[O:14])[C:11]1([CH2:10][c:9]3[c:8]-2[cH:23][cH:22][cH:21][cH:20]3)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[CH3:41][CH2:42][OH:43].[I-:40].[K+:38].[Na+:39].[OH-:37].[OH2:44]>>[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([S:24][CH2:33][c:32]2[cH:31][cH:30][c:29]([NH:28][C:25]([CH3:26])=[O:27])[cH:36][cH:35]2)[n:6][c:7]2[c:12]([c:13]1=[O:14])[C:11]1([CH2:10][c:9]3[c:8]-2[cH:23][cH:22][cH:21][cH:20]3)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 30165Iodide IonHCID 148705Acetamide, N-(4-(chloromethyl)phenyl)-HCID 7188153-allyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Product 1

HCID 46870390N-(4-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-2-ylthio)methyl)phenyl)acetamide

Sources & evidence

ORD record
ord-f82ca319a50f4d0b9e68b6e146aca2be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…