Acetonitrile → Bromide ion

HRID 1141065Notes

Reaction equation

HRID 1141065 reaction equation
[Br:24][CH2:25][C:26](=[O:27])[NH:28][c:29]1[n:30][o:31][cH:32][cH:33]1.[CH3:34][C:35]#[N:36].[s:1]1[c:2]([C:6]2([C:13](=[O:14])[O:15][CH:16]3[CH2:17][N:18]4[CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23]4)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:3][cH:4][cH:5]1>>[Br-:24].[s:1]1[c:2]([C:6]2([C:13](=[O:14])[O:15][CH:16]3[CH2:17][N+:18]4([CH2:25][C:26](=[O:27])[NH:28][c:29]5[n:30][o:31][cH:32][cH:33]5)[CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23]4)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:3][cH:4][cH:5]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 133629192-bromo-N-(isoxazol-3-yl)acetamideHCID 66886760HCID 66886760, compound

Product 2

HCID 259Bromide ionHCID 178521164[1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-thiophen-2-ylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-4004f67a251041389f1795e382293eff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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