Potassium Cation → 3-(4''-Amino-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chlorobenzonitrile

HRID 192027Notes

Reaction equation

HRID 192027 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([cH:12]1)[C:10]1([C:7]3([CH2:6]2)[CH2:8][CH2:9]3)[N:13]=[C:14]([CH3:18])[C:15]([NH2:17])=[N:16]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:19][c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42]>>[c:2]1(-[c:26]2[cH:25][c:22]([C:23]#[N:24])[cH:21][c:20]([Cl:19])[cH:27]2)[cH:3][cH:4][c:5]2[c:11]([cH:12]1)[C:10]1([C:7]3([CH2:6]2)[CH2:8][CH2:9]3)[N:13]=[C:14]([CH3:18])[C:15]([NH2:17])=[N:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 532171293-Chloro-5-cyanophenylboronic acid, pinacol esterHCID 573871706'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine

Product 1

HCID 573871713-(4''-Amino-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chlorobenzonitrile

Sources & evidence

ORD record
ord-6cbb54107dd84388b6b1fb9ceca03c59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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