Chloride → 1,4,5,6-Tetrahydro-6-(4-aminobenzoyl)pyrazolo[3,4-d]pyrido[2,3-b]azepine

HRID 97313Notes

Reaction equation

HRID 97313 reaction equation
[CH3:34][CH2:35][OH:36].[Cl-:28].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([cH:20][cH:21][cH:22][n:23]3)-[c:13]3[c:14]([cH:17][n:18][nH:19]3)[CH2:15][CH2:16]2)[cH:24][cH:25]1.[Na+:33].[O-:29][C:30]([OH:31])=[O:32].[OH2:26].[OH2:27]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([cH:20][cH:21][cH:22][n:23]3)-[c:13]3[c:14]([cH:17][n:18][nH:19]3)[CH2:15][CH2:16]2)[cH:24][cH:25]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 544497301,4,5,6-Tetrahydro-6-(4-nitrobenzoyl)pyrazolo[3,4-d]pyrido[2,3-b]azepine

Product 1

HCID 194387381,4,5,6-Tetrahydro-6-(4-aminobenzoyl)pyrazolo[3,4-d]pyrido[2,3-b]azepine

Sources & evidence

ORD record
ord-8fb98420ef244dc4ad45728e13ff565f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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