Benzene → HCID 69517064, compound

HRID 124250Notes

Reaction equation

HRID 124250 reaction equation
[Br-:51].[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([CH2:25][C:26]#[N:27])[n:23][n:24]1.[CH2:28]([CH2:29][CH3:30])[CH:31]([CH:32]=[O:33])[CH2:34][CH2:35][CH3:36].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[Na+:38].[OH-:37].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([C:25]([C:26]#[N:27])=[CH:32][CH:31]([CH2:28][CH2:29][CH3:30])[CH2:34][CH2:35][CH3:36])[n:23][n:24]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 875602-PropylvaleraldehydeHCID 58914637HCID 58914637, compound

Product 1

HCID 69517064HCID 69517064, compound

Sources & evidence

ORD record
ord-381aaa8075dc45cc89b53c7165218309
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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