Potassium Cation → 8-chloro-1-[[(cyclopropylmethyl)methylamino]methyl]-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]-benzodiazepine

HRID 1133223Notes

Reaction equation

HRID 1133223 reaction equation
[CH3:27][NH:28][CH2:29][CH:30]1[CH2:31][CH2:32]1.[Cl:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[C:9]([c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1)=[N:10][CH2:11][c:12]1[n:13]-2[c:14]([CH2:17][Cl:18])[n:15][n:16]1.[I-:2].[K+:1].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[Cl:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[C:9]([c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1)=[N:10][CH2:11][c:12]1[n:13]-2[c:14]([CH2:17][N:28]([CH3:27])[CH2:29][CH:30]2[CH2:31][CH2:32]2)[n:15][n:16]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 30165Iodide IonHCID 126123488-chloro-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo-[4,3-a][1,4]benzodiazepineHCID 12919209(Cyclopropylmethyl)methylamine

Product 1

HCID 214372688-chloro-1-[[(cyclopropylmethyl)methylamino]methyl]-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]-benzodiazepine

Sources & evidence

ORD record
ord-f94b933b75d645c2abddbabcafe1816a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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