Chloride → 5-(4-chlorophenyl)-8-methyl-11H-1,3-dioxolo[4,5-h]imidazo[1,2-c][2,3]benzodiazepine

HRID 2320669Notes

Reaction equation

HRID 2320669 reaction equation
[Cl-:31].[ClH:39].[Cu+2:50].[N:26]([O-:27])=[O:28].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][n:10]3[c:11]([n:22][cH:23][c:24]3[CH3:25])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:6][cH:7]1.[Na+:29].[Na+:30].[Na+:36].[Na+:37].[OH2:38].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[S:32]([O-:33])([O-:34])=[O:35].[S:45]([O-:46])([O-:47])(=[O:48])=[O:49]>>[c:2]1([Cl:31])[cH:3][cH:4][c:5]([C:8]2=[N:9][n:10]3[c:11]([n:22][cH:23][c:24]3[CH3:25])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion4×HCID 946NitriteHCID 962Water6×HCID 1099SulfiteHCID 1117Sulfate IonHCID 27099Cupric cationHCID 181831705-(4-aminophenyl)-8-methyl-11H-1,3-dioxolo[4,5-h]imidazo[1,2-c][2,3]benzodiazepine

Product 1

HCID 181831345-(4-chlorophenyl)-8-methyl-11H-1,3-dioxolo[4,5-h]imidazo[1,2-c][2,3]benzodiazepine

Sources & evidence

ORD record
ord-2124df6df7024462b2bd9a5a63e5a07e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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