Bicarbonate Ion → 4-(7-bromo-2-methyl-2H-indazol-3-yl)-heptan-4-ol

HRID 210276

Reaction equation

HRID 210276 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][n:8]([CH3:11])[n:9][c:10]12.[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:40][CH2:41][CH2:42][C:43]([CH2:44][CH2:45][CH3:46])=[O:47].[CH:12]([N-:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Li+:19].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([C:43]([CH2:42][CH2:41][CH3:40])([CH2:44][CH2:45][CH3:46])[OH:47])[n:8]([CH3:11])[n:9][c:10]12

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7500EthylbenzeneHCID 8028Tetrahydrofuran2×HCID 8900HeptaneHCID 28486Lithium ionHCID 312464-HeptanoneHCID 5062348DiisopropylamideHCID 210945807-bromo-2-methyl-2H-indazole

Product 1

HCID 210945894-(7-bromo-2-methyl-2H-indazol-3-yl)-heptan-4-ol

Sources & evidence

ORD record
ord-ed3ccbf8267b4150b811a65158d0f872
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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