Potassium Cation → HCID 59529729, compound

HRID 1556173Notes

Reaction equation

HRID 1556173 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:21])[nH:13][cH:14][cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:9]1.[Cl:28][CH2:29][c:30]1[n:31][n:32]([CH2:49][c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[c:33]2[n:34][c:35]([NH:39][CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[cH:36][cH:37][c:38]12.[K+:26].[K+:27]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([O:10][c:11]2[c:12](=[O:21])[n:13]([CH2:29][c:30]3[n:31][n:32]([CH2:49][c:50]4[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]4)[c:33]4[n:34][c:35]([NH:39][CH2:40][c:41]5[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]5)[cH:36][cH:37][c:38]34)[cH:14][cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[cH:9]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 568336463-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amineHCID 584600483-Chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)benzonitrile

Product 1

HCID 59529729HCID 59529729, compound

Sources & evidence

ORD record
ord-da423be7b3854c3eb9aa550b6598ecea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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