Acetonitrile → Chloride

HRID 166816Notes

Reaction equation

HRID 166816 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([CH2:20][CH2:21][Cl:22])[CH2:12][CH2:13][CH2:14]1.[CH3:23][C:24]#[N:25]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N+:8]12[CH2:9][CH2:10][C:11]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([CH2:12][CH2:13][CH2:14]1)[CH2:20][CH2:21]2.[Cl-:22]

Participants

4

Reactant 2

HCID 6342AcetonitrileHCID 59291310Ethyl 4-(2-chloroethyl)hexahydro-1-(phenylmethyl)-1H-azepine-4-carboxylate

Product 2

HCID 312ChlorideHCID 59291462HCID 59291462, compound

Sources & evidence

ORD record
ord-852b999400644619b33e7a76da8d2ce1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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