Acetonitrile → Bromide ion

HRID 670918Notes

Reaction equation

HRID 670918 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([N:9]([C:10](=[O:11])[NH:12][CH3:13])[CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1.[CH3:36][c:37]1[cH:38][n:39][cH:40][s:41]1.[CH3:42][C:43]#[N:44]>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5]([N:9]([C:10](=[O:11])[NH:12][CH3:13])[CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1)[n+:39]1[cH:38][c:37]([CH3:36])[s:41][cH:40]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 1379805-MethylthiazoleHCID 11757165HCID 11757165, compound

Product 2

HCID 259Bromide ionHCID 10032127HCID 10032127, compound

Sources & evidence

ORD record
ord-fcd8f97c75404e5eaaba88e2b49097b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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