Chloride → HCID 13691159, compound

HRID 162539Notes

Reaction equation

HRID 162539 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[nH:6][c:7](=[O:33])[c:8]2[n:9][cH:10][n:11]([CH2:14][O:15][CH:16]([CH2:17][O:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:12]2[n:13]1.[CH2:49]([N+:50]([CH2:51][CH3:52])([CH2:53][CH3:54])[CH2:55][CH3:56])[CH3:57].[CH3:34][N:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH3:42].[CH3:58][C:59]#[N:60].[Cl-:48].[P:43]([Cl:44])([Cl:45])([Cl:46])=[O:47]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7]([Cl:45])[c:8]2[n:9][cH:10][n:11]([CH2:14][O:15][CH:16]([CH2:17][O:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:12]2[n:13]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 949N,N-DimethylanilineHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 136332172HCID 136332172, compound

Product 1

HCID 13691159HCID 13691159, compound

Sources & evidence

ORD record
ord-63d5f60a1d2f4580876ce53ab642e2e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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