Chloride → HCID 86759014, compound

HRID 1117353Notes

Reaction equation

HRID 1117353 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:6][c:7]2[n:8][c:9]([NH:17][C:18]([CH3:19])=[O:20])[nH:10][c:11](=[O:16])[c:12]2[N+:13](=[O:14])[O-:15])[cH:21][cH:22][cH:23]1.[CH2:42]([N+:43]([CH2:44][CH3:45])([CH2:46][CH3:47])[CH2:48][CH3:49])[CH3:50].[CH3:24][N:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:32].[CH3:38][C:39]#[N:40].[Cl-:41].[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:6][c:7]2[n:8][c:9]([NH:17][C:18]([CH3:19])=[O:20])[n:10][c:11]([Cl:35])[c:12]2[N+:13](=[O:14])[O-:15])[cH:21][cH:22][cH:23]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 949N,N-DimethylanilineHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 136388349HCID 136388349, compound

Product 1

HCID 86759014HCID 86759014, compound

Sources & evidence

ORD record
ord-9890b29e61e142e5ba48596a7dc701fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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