Acetonitrile → HCID 24810832, compound

HRID 2329985Notes

Reaction equation

HRID 2329985 reaction equation
[B-:14]([F:15])([F:16])([F:17])[F:18].[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([C:11](=[O:12])[OH:13])[cH:10]2.[CH3:36][C:37]#[N:38].[CH3:39][O:40][c:41]1[c:42]([OH:52])[cH:43][c:44]2[c:49]([cH:50]1)[CH:48]([CH3:51])[NH:47][CH2:46][CH2:45]2.[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([C:11](=[O:13])[N:47]1[CH2:46][CH2:45][c:44]3[cH:43][c:42]([OH:52])[c:41]([O:40][CH3:39])[cH:50][c:49]3[CH:48]1[CH3:51])[cH:10]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 26255TetrafluoroborateHCID 466957-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-olHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 7719386-Bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Product 1

HCID 24810832HCID 24810832, compound

Sources & evidence

ORD record
ord-31abb2df9e9c414f86acfb1d3b0692cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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