Bicarbonate Ion → 5-chloro-9-fluoro-4H-1,3,3a,6-tetraaza-benzo[e]azulene

HRID 120022

Reaction equation

HRID 120022 reaction equation
[CH3:17][N:18]([CH3:19])[c:20]1[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]1.[CH:37]([Cl:38])([Cl:39])[Cl:40].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)-[c:7]1[n:8][cH:9][n:10][n:11]1[CH2:12][C:13](=[O:15])[NH:14]2.[Na+:32].[OH:33][C:34](=[O:35])[O-:36].[P:27]([Cl:28])([Cl:29])([Cl:30])=[O:31]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)-[c:7]1[n:8][cH:9][n:10][n:11]1[CH2:12][C:13]([Cl:29])=[N:14]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 7471Dimethyl-p-toluidineHCID 24813Phosphorus oxychlorideHCID 13571502410-fluoro-5H-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6(7H)-one

Product 1

HCID 691065985-chloro-9-fluoro-4H-1,3,3a,6-tetraaza-benzo[e]azulene

Sources & evidence

ORD record
ord-17d9db95aafe42ddb68021ddcb77b301
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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