Bromide ion → 4-(5-But-1-enyl-imidazol-1-yl)-3,3-dimethyl-isochroman-1-one

HRID 105209Notes

Reaction equation

HRID 105209 reaction equation
[Br-:1].[CH2:2]([CH2:3][CH3:4])[P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:24][Si:25]([CH3:26])([CH3:27])[N-:28][Si:29]([CH3:30])([CH3:31])[CH3:32].[CH3:34][C:35]1([CH3:53])[O:36][C:37](=[O:52])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[CH:44]1[n:45]1[cH:46][n:47][cH:48][c:49]1[CH:50]=[O:51].[Na+:33]>>[CH:2]([CH2:3][CH3:4])=[CH:50][c:49]1[n:45]([CH:44]2[C:35]([CH3:34])([CH3:53])[O:36][C:37](=[O:52])[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]32)[cH:46][n:47][cH:48]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 80375TriphenylpropylphosphoniumHCID 3280088Npc316347HCID 248026903-(3,3-dimethyl-1-oxo-isochroman-4-yl)-3H-imidazole-4-carbaldehyde

Product 1

HCID 669064414-(5-But-1-enyl-imidazol-1-yl)-3,3-dimethyl-isochroman-1-one

Sources & evidence

ORD record
ord-7406d106805047b9b613effe6cd3ee54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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