Chloride → HCID 12801959, compound

HRID 2312368Notes

Reaction equation

HRID 2312368 reaction equation
[CH2:46]([Cl:47])[Cl:48].[CH3:1][N:2]([CH2:3][CH2:4][NH2:5])[CH3:6].[Cl-:7].[Cl:34][P:35]([Cl:36])([Cl:37])([Cl:38])[Cl:39].[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:33]1)[C:14]([c:26]1[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]1)=[N:15][CH2:16][c:17]1[n:18]-2[c:19]([CH3:25])[n:20][c:21]1[C:22](=[O:23])[OH:24].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:22]([c:21]1[c:17]2[n:18]([c:19]([CH3:25])[n:20]1)-[c:12]1[cH:11][cH:10][c:9]([Cl:8])[cH:33][c:13]1[C:14]([c:26]1[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]1)=[N:15][CH2:16]2)=[O:23])[CH3:6]

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24819Phosphorus pentachlorideHCID 66053N,N-DimethylethylenediamineHCID 1010628-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

Product 1

HCID 12801959HCID 12801959, compound

Sources & evidence

ORD record
ord-80b34f09ed1f4712bae9382a658e9717
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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