Acetate → HCID 67016390, compound

HRID 1116006Notes

Reaction equation

HRID 1116006 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][C:19]([CH3:21])([OH:22])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:23]([CH3:24])(=[O:25])[O:26][CH2:27][c:28]1[c:29]([N:43]2[C:44](=[O:56])[c:45]3[n:46]([c:47]4[c:52]([cH:53]3)[CH2:51][CH2:50][CH2:49][CH2:48]4)[CH2:54][CH2:55]2)[cH:30][cH:31][cH:32][c:33]1[B:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]1.[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:70][C:71]#[N:72].[K+:62].[K+:63].[K+:64].[Na+:69].[OH2:73].[P:57]([O-:58])([O-:59])([O-:60])=[O:61]>>[c:2]1(-[c:33]2[c:28]([CH2:27][O:26][C:23]([CH3:24])=[O:25])[c:29]([N:43]3[C:44](=[O:56])[c:45]4[n:46]([c:47]5[c:52]([cH:53]4)[CH2:51][CH2:50][CH2:49][CH2:48]5)[CH2:54][CH2:55]3)[cH:30][cH:31][cH:32]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][C:19]([CH3:21])([OH:22])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 813Potassium Cation3×HCID 923Sodium ionHCID 962WaterHCID 1061PhosphateHCID 6342AcetonitrileHCID 58043709HCID 58043709, compoundHCID 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)-one

Product 1

HCID 67016390HCID 67016390, compound

Sources & evidence

ORD record
ord-7963448fb59d4a6da021a38778e1817e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…