Bromide ion → 2-[[12-[2-Ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]cyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

HRID 1134972Notes

Reaction equation

HRID 1134972 reaction equation
[Br-:45].[Br:37][CH2:38][c:39]1[n:40][o:41][c:42]([CH3:44])[cH:43]1.[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([OH:28])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][cH:19]1.[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[K+:30].[OH-:29].[OH2:63]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([O:28][CH2:38][c:39]2[n:40][o:41][c:42]([CH3:44])[cH:43]2)[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][cH:19]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 312751,4-DioxaneHCID 27763043-(Bromomethyl)-5-methylisoxazoleHCID 585572033-ethyl-4-(6-((2-(trimethylsilyl)ethoxy)methyl)-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentanol

Product 1

HCID 585578022-[[12-[2-Ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]cyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

Sources & evidence

ORD record
ord-cbb99674368b4ca78c72771b24d41471
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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