Bicarbonate Ion → (5-fluoroadamantan-2-yl)-3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-2(1H)-one

HRID 200136Notes

Reaction equation

HRID 200136 reaction equation
[CH2:25]([S:26]([F:27])([F:28])([CH2:29][CH3:30])([F:31])[NH2:32])[CH3:33].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:45][CH2:46][Cl:47].[Na+:34].[OH:1][C:2]12[CH2:3][CH:4]3[CH:5]([n:12]4[c:13](=[O:24])[nH:14][c:15]5[c:16]4[c:17]4[c:18]([n:19][cH:20]5)[nH:21][cH:22][cH:23]4)[CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[OH:35][C:36](=[O:37])[O-:38]>>[C:2]12([F:31])[CH2:3][CH:4]3[CH:5]([n:12]4[c:13](=[O:24])[nH:14][c:15]5[c:16]4[c:17]4[c:18]([n:19][cH:20]5)[nH:21][cH:22][cH:23]4)[CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 53748433Diethyl aminosulfur trifluorideHCID 57928254(5-Hydroxyadamantan-2-yl)-3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-2(1H)-one

Product 1

HCID 57928284(5-fluoroadamantan-2-yl)-3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-2(1H)-one

Sources & evidence

ORD record
ord-3dcca071f33f495bb8e516f9b8eb3b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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