Bicarbonate Ion → 8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoylmethyl-methyl-amino)-methyl]-pyridin-2-yl}-amide

HRID 291799Notes

Reaction equation

HRID 291799 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].[CH3:44][Al:45]([CH3:46])[CH3:47].[Cl:53][CH2:54][Cl:55].[NH2:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][N:36]([CH2:37][C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[CH3:43])[cH:33][n:34]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[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]([CH2:37][C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[CH3:43])[cH:33][n:34]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 16682925TrimethylaluminumHCID 621823902-[(6-amino-pyridin-3-ylmethyl)-methyl-amino]-N,N-dimethyl-acetamideHCID 866411458-(2,6-Difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid ethyl ester

Product 1

HCID 592928238-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoylmethyl-methyl-amino)-methyl]-pyridin-2-yl}-amide

Sources & evidence

ORD record
ord-8bb9f71ff34c49ee9a2170263fa687db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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