Bromide ion → HCID 15239016, compound

HRID 1222209Notes

Reaction equation

HRID 1222209 reaction equation
[Br-:33].[Br:14][c:15]1[cH:16][c:17]([CH3:26])[cH:18][c:19]2[n:20][c:21]([OH:25])[cH:22][n:23][c:24]12.[Br:1][c:2]1[cH:3][c:4]([CH3:5])[cH:6][c:7]2[c:8]1[n:9][c:10]([OH:11])[cH:12][n:13]2.[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][CH2:64][O:65][CH2:66][CH3:67].[Cl:29][CH:30]([F:31])[F:32].[Na+:28].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:27].[OH2:68]>>[Br:14][c:15]1[cH:16][c:17]([CH3:26])[cH:18][c:19]2[n:20][c:21]([O:25][CH:30]([F:31])[F:32])[cH:22][n:23][c:24]12

Participants

12

Reactant 11

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 6372ChlorodifluoromethaneHCID 8058HexaneHCID 16028TetrabutylammoniumHCID 312751,4-DioxaneHCID 178422417HCID 178422417, compoundHCID 178422420HCID 178422420, compound

Product 1

HCID 15239016HCID 15239016, compound

Sources & evidence

ORD record
ord-f289511ea0424269ae4767d8c389fdd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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