Ammonium → 3-[(4-chlorophenyl)methyl]-2-cyclopropyl-5,6-dihydrocyclopenta[d]imidazol-4(3H)-one

HRID 295767Notes

Reaction equation

HRID 295767 reaction equation
[Br-:31].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]1([c:4]2[n:5][c:6]3[c:7]([nH:8]2)[CH2:9][CH2:10][C:11]3=[O:12])[CH2:2][CH2:3]1.[Cl-:29].[Cl:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][Br:19])[cH:20][cH:21]1.[NH4+:30].[Na+:50].[OH-:49]>>[CH:1]1([c:4]2[n:5]([CH2:18][c:17]3[cH:16][cH:15][c:14]([Cl:13])[cH:21][cH:20]3)[c:6]3[c:7]([n:8]2)[CH2:9][CH2:10][C:11]3=[O:12])[CH2:2][CH2:3]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 693291-(Bromomethyl)-4-chlorobenzeneHCID 58460160HCID 58460160, compound

Product 1

HCID 584602283-[(4-chlorophenyl)methyl]-2-cyclopropyl-5,6-dihydrocyclopenta[d]imidazol-4(3H)-one

Sources & evidence

ORD record
ord-dfcc1f0145dd44b5972446d5b1bef2c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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