Acetonitrile → HCID 67065377, compound

HRID 177529Notes

Reaction equation

HRID 177529 reaction equation
[CH3:36][O:37][N:38]=[C:39]1[c:40]2[c:41]([CH3:42])[n:43][c:44]([NH2:45])[n:46][c:47]2[CH2:48][CH:49]([c:50]2[cH:51][cH:52][c:53]([F:54])[cH:55][c:56]2-[c:57]2[c:58]([F:59])[n:60][cH:61][cH:62][cH:63]2)[CH2:64]1.[CH3:65][C:66]#[N:67].[Cl:31][P:32](=[O:33])([Cl:34])[Cl:35].[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[NH:10][C:11]2=[O:12].[nH:22]1[n:23][n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]2[c:6]([n:7]1)[CH2:8][CH:9]([c:13]1[c:14]([Br:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1)[N:10]=[C:11]2[n:22]1[n:23][n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 67065352HCID 67065352, compoundHCID 74942982HCID 74942982, compoundHCID 178418385HCID 178418385, compound

Product 1

HCID 67065377HCID 67065377, compound

Sources & evidence

ORD record
ord-2b49dbc360164bec93fd39fe7308ea46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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