Potassium Cation → HCID 86661230, compound

HRID 2326032Notes

Reaction equation

HRID 2326032 reaction equation
[Br:1][c:2]1[n:3][c:4]([NH:10][c:11]2[cH:12][n:13][n:14]([CH2:16][CH2:17][OH:18])[cH:15]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:19]([CH3:20])(=[O:21])[O:22][CH2:23][c:24]1[c:25]([N:39]2[C:40](=[O:52])[c:41]3[n:42]([c:43]4[c:48]([cH:49]3)[CH2:47][CH2:46][CH2:45][CH2:44]4)[CH2:50][CH2:51]2)[cH:26][cH:27][cH:28][c:29]1[B:30]1[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]1.[CH3:62][C:63]#[N:64].[K+:58].[K+:59].[K+:60].[OH2:61].[P:53]([O-:54])([O-:55])([O-:56])=[O:57]>>[c:2]1(-[c:29]2[c:24]([CH2:23][O:22][C:19]([CH3:20])=[O:21])[c:25]([N:39]3[C:40](=[O:52])[c:41]4[n:42]([c:43]5[c:48]([cH:49]4)[CH2:47][CH2:46][CH2:45][CH2:44]5)[CH2:50][CH2:51]3)[cH:26][cH:27][cH:28]2)[n:3][c:4]([NH:10][c:11]2[cH:12][n:13][n:14]([CH2:16][CH2:17][OH:18])[cH:15]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6342AcetonitrileHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 86661229HCID 86661229, compound

Product 1

HCID 86661230HCID 86661230, compound

Sources & evidence

ORD record
ord-77cf03b377d74c05ba9b14ea52e47c8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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