Acetonitrile → HCID 66875979, compound

HRID 1204480Notes

Reaction equation

HRID 1204480 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:9]1.[CH2:35]1[CH2:36][CH2:37][C:38]2=[N:43][CH2:42][CH2:41][CH2:40][N:39]2[CH2:44][CH2:45]1.[CH3:46][C:47]#[N:48].[NH2:26][c:27]1[cH:28][c:29]([OH:34])[cH:30][cH:31][c:32]1[F:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11](=[O:19])[NH:26][c:27]2[cH:28][c:29]([OH:34])[cH:30][cH:31][c:32]2[F:33])[cH:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 135191803-Amino-4-fluorophenolHCID 46196894phenyl 3-tert-butyl-1-phenyl-1H-pyrazol-5-ylcarbamate

Product 1

HCID 66875979HCID 66875979, compound

Sources & evidence

ORD record
ord-9fda47ccca7348fb80116d26ada048e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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