Bromide ion → HCID 68153912, compound

HRID 100569Notes

Reaction equation

HRID 100569 reaction equation
[Br-:1].[CH2:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH2:13][P+:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:9][cH:10]1.[CH2:39]([CH3:40])[O:41][c:42]1[c:43]([F:63])[c:44]([F:62])[c:45](-[c:48]2[cH:49][cH:50][c:51]([CH:54]3[CH2:55][CH2:56][CH:57]([CH:60]=[O:61])[CH2:58][CH2:59]3)[cH:52][cH:53]2)[cH:46][cH:47]1.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[K+:38].[OH2:64]>>[CH2:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][CH:13]=[CH:60][CH:57]2[CH2:56][CH2:55][CH:54]([c:51]3[cH:50][cH:49][c:48](-[c:45]4[c:44]([F:62])[c:43]([F:63])[c:42]([O:41][CH2:39][CH3:40])[cH:47][cH:46]4)[cH:53][cH:52]3)[CH2:59][CH2:58]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 86668456HCID 86668456, compoundHCID 88850409HCID 88850409, compound

Product 1

HCID 68153912HCID 68153912, compound

Sources & evidence

ORD record
ord-0f22ee1014ed4fd9bee76d411996c92b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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