Benzene → HCID 178509242, compound

HRID 695784Notes

Reaction equation

HRID 695784 reaction equation
[Al+3:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[n:10][nH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:18][c:19]3[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]3)[c:17]12.[Cl-:26].[Cl-:28].[Cl-:29].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[NH2:8][c:9]1[n:10][nH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:18][c:19]3[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]3)[c:17]12

Participants

5

Reactant 4

HCID 241BenzeneHCID 312Chloride3×HCID 104727Aluminum CationHCID 53278353-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine

Product 1

HCID 178509242HCID 178509242, compound

Sources & evidence

ORD record
ord-7b52d9b01d73406fbc83d16cacfa2d70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…