Potassium Cation → 8-chloro-1-(pyrrolidinomethyl)-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Reaction equation

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

Participants

Reactant 5

HCID 813Potassium Cation

HCID 8028Tetrahydrofuran

HCID 30165Iodide Ion

HCID 31268Pyrrolidine

HCID 126123458-chloro-1-(chloromethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Product 1

HCID 126123588-chloro-1-(pyrrolidinomethyl)-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Sources & evidence

ORD record: ord-1a7f2ade1c934921b2fd79902b2650ea
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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