Bicarbonate Ion → 2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide

HRID 936452Notes

Reaction equation

HRID 936452 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:56][C:57]#[N:58].[NH2:37][c:38]1[c:39]([C:40](=[O:41])[N:42]([CH3:43])[CH3:44])[cH:45][c:46]([I:50])[cH:47][c:48]1[F:49].[Na+:55]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:46]4[cH:45][c:39]([C:40](=[O:41])[N:42]([CH3:43])[CH3:44])[c:38]([NH2:37])[c:48]([F:49])[cH:47]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 577315392-amino-3-fluoro-5-iodo-N,N-dimethyl-benzamide

Product 1

HCID 577314782-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide

Sources & evidence

ORD record
ord-1844c7f8130b44f9abce275fde533d4d
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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