Sodium ion → (3-(3-(2-fluorophenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone

HRID 1232982Notes

Reaction equation

HRID 1232982 reaction equation
[CH3:54][C:55]#[N:56].[Cl:45][CH2:46][Cl:47].[F:35][c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[I:1][c:2]1[cH:3][n:4]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH2:57]>>[c:2]1(-[c:37]2[c:36]([F:35])[cH:41][cH:40][cH:39][cH:38]2)[cH:3][n:4]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 27343542-Fluorophenylboronic acidHCID 59699851(3-(3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone

Product 1

HCID 59700003(3-(3-(2-fluorophenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone

Sources & evidence

ORD record
ord-8c9a79a4dcc04d6bb6151df5c3542a99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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