Bicarbonate Ion → 2-amino-5-(3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylbenzamide

HRID 191545Notes

Reaction equation

HRID 191545 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH3:49][OH:50].[NH2:1][c:2]1[c:3]([C:32]([N:33]([CH3:34])[CH3:35])=[O:36])[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[n:14]([CH2:24][O:25][C:26](=[O:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:15][c:16]3-[c:17]2[n:18]([CH2:22][CH3:23])[n:19][cH:20][cH:21]2)[cH:6][cH:7]1.[Na+:38].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:37]>>[NH2:1][c:2]1[c:3]([C:32]([N:33]([CH3:34])[CH3:35])=[O:36])[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[nH:14][cH:15][c:16]3-[c:17]2[n:18]([CH2:22][CH3:23])[n:19][cH:20][cH:21]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 577315452,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester

Product 1

HCID 1355664332-amino-5-(3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylbenzamide

Sources & evidence

ORD record
ord-0bc05f0259dd4bde840e8217bfd3f2e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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