Bicarbonate Ion → 8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

HRID 1215164Notes

Reaction equation

HRID 1215164 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([F:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[CH3:3].[CH3:43][Al:44]([CH3:45])[CH3:46].[Cl:52][CH2:53][Cl:54].[NH2:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][N:36]2[CH2:37][C:38](=[O:42])[NH:39][CH2:40][CH2:41]2)[cH:33][n:34]1.[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[C:4](=[O:5])([c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([F:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[NH:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][N:36]2[CH2:37][C:38](=[O:42])[NH:39][CH2:40][CH2:41]2)[cH:33][n:34]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 16682925TrimethylaluminumHCID 621833814-[(6-Aminopyridin-3-yl)methyl]piperazin-2-oneHCID 866411458-(2,6-Difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid ethyl ester

Product 1

HCID 445132028-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

Sources & evidence

ORD record
ord-5bb10c73ece34b268a2e3b1332cc7bbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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