Acetonitrile → HCID 22341791, compound

HRID 680197Notes

Reaction equation

HRID 680197 reaction equation
[B-:32]([F:33])([F:34])([F:35])[F:36].[B-:37]([F:38])([F:39])([F:40])[F:41].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[cH:15][c:16](-[c:21]4[c:22](=[O:31])[nH:23][c:24]5[cH:25][cH:26][cH:27][cH:28][c:29]5[cH:30]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:9][CH2:10]1.[CH3:53][C:54]#[N:55].[Cl:42][CH2:43][N+:44]12[CH2:45][CH2:46][N+:47]([F:48])([CH2:49][CH2:50]1)[CH2:51][CH2:52]2>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[c:15]([F:33])[c:16](-[c:21]4[c:22](=[O:31])[nH:23][c:24]5[cH:25][cH:26][cH:27][cH:28][c:29]5[cH:30]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 26255Tetrafluoroborate2×HCID 27249341-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octaneHCID 9849987335649-90-6

Product 1

HCID 22341791HCID 22341791, compound

Sources & evidence

ORD record
ord-891c50b3ee4c4fb68bee720e21bb2d5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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