Hydrogen Bromide → HCID 68488541, compound

HRID 677197Notes

Reaction equation

[BrH:38].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([cH:23][cH:24]1)[O:13][CH:14]([CH2:17][O:18][S:19]([CH3:20])(=[O:21])=[O:22])[CH2:15][O:16]2.[CH3:44][C:45]#[N:46].[NH:25]1[CH2:26][CH:27]([c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]2)[CH2:28][CH2:29][CH2:30]1.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([cH:23][cH:24]1)[O:13][CH:14]([CH2:17][N:25]1[CH2:26][CH:27]([c:31]3[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]3)[CH2:28][CH2:29][CH2:30]1)[CH2:15][O:16]2

Participants

Reactant 6

HCID 260Hydrogen Bromide

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6342Acetonitrile

HCID 12937950Phenol, 3-(3-piperidinyl)-

HCID 90273483(6-Phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl methanesulfonate

Product 1

HCID 68488541HCID 68488541, compound

Sources & evidence

ORD record: ord-b44fd80d4ff843dab64fa94db1415dc3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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