Bromide ion → HCID 59854780, compound

HRID 179456Notes

Reaction equation

HRID 179456 reaction equation
[Br-:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:25]2[cH:26][c:27]([O:35][CH3:36])[c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]2)[n:10][c:11]2[c:12]([c:13]1=[O:14])[c:15]1[c:16]([s:17]2)[C:18]([Cl:24])=[C:19]([CH:22]=[O:23])[CH2:20][CH2:21]1.[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[K+:45].[OH-:44].[OH:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:25]2[cH:26][c:27]([O:35][CH3:36])[c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]2)[n:10][c:11]2[c:12]([c:13]1=[O:14])[c:15]1[c:16]([s:17]2)[C:18]([O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[C:19]([CH:22]=[O:23])[CH2:20][CH2:21]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 813Potassium CationHCID 961HydroxideHCID 996PhenolHCID 16028TetrabutylammoniumHCID 59854770HCID 59854770, compound

Product 1

HCID 59854780HCID 59854780, compound

Sources & evidence

ORD record
ord-e9240348b81c470f8e4502bf0debb1ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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