Potassium Cation → HCID 67016491, compound

HRID 2332914Notes

Reaction equation

HRID 2332914 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][n:13]([CH2:16][CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH3:26])[cH:14][cH:15]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:27]([CH3:28])(=[O:29])[O:30][CH2:31][c:32]1[c:33]([N:47]2[C:48](=[O:60])[c:49]3[n:50]([c:51]4[c:56]([cH:57]3)[CH2:55][CH2:54][CH2:53][CH2:52]4)[CH2:58][CH2:59]2)[cH:34][cH:35][cH:36][c:37]1[B:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1.[CH3:70][C:71]#[N:72].[K+:66].[K+:67].[K+:68].[OH2:69].[P:61]([O-:62])([O-:63])([O-:64])=[O:65]>>[c:2]1(-[c:37]2[c:32]([CH2:31][O:30][C:27]([CH3:28])=[O:29])[c:33]([N:47]3[C:48](=[O:60])[c:49]4[n:50]([c:51]5[c:56]([cH:57]4)[CH2:55][CH2:54][CH2:53][CH2:52]5)[CH2:58][CH2:59]3)[cH:34][cH:35][cH:36]2)[cH:3][c:4]([NH:10][c:11]2[n:12][n:13]([CH2:16][CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH3:26])[cH:14][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 58044288HCID 58044288, compound

Product 1

HCID 67016491HCID 67016491, compound

Sources & evidence

ORD record
ord-cd8d42ae3f9d48baa4aedcfd6b460fe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…