Potassium Cation → CC 223

HRID 170412Notes

Reaction equation

HRID 170412 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1)[N:8]([CH:13]1[CH2:14][CH2:15][CH:16]([O:19][CH3:20])[CH2:17][CH2:18]1)[C:9](=[O:12])[CH2:10][NH:11]2.[C:40](=[O:41])([O-:42])[O-:43].[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[OH:38])[n:33][cH:34]2)[O:39]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[K+:44].[K+:45].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58]>>[c:2]1(-[c:29]2[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[OH:38])[n:33][cH:34]2)[cH:3][n:4][c:5]2[c:6]([n:7]1)[N:8]([CH:13]1[CH2:14][CH2:15][CH:16]([O:19][CH3:20])[CH2:17][CH2:18]1)[C:9](=[O:12])[CH2:10][NH:11]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 580929322-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propan-2-olHCID 862930057-Bromo-1-(trans-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 58298316CC 223

Sources & evidence

ORD record
ord-73a84c8767bc418f8231494530f668fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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