Chloride → HCID 23652719, compound

HRID 1237217Notes

Reaction equation

HRID 1237217 reaction equation
[CH3:33][N:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH3:41].[CH3:47][C:48]#[N:49].[CH3:51][N+:52]([CH3:53])([CH3:54])[CH3:55].[Cl-:50].[F:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][c:15]3[cH:16][c:17]([CH2:21][c:22]4[n:23][cH:24][n:25][c:26]([OH:28])[cH:27]4)[cH:18][cH:19][c:20]23)[cH:6][cH:7]1.[P:42]([Cl:43])([Cl:44])([Cl:45])=[O:46]>>[F:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][c:15]3[cH:16][c:17]([CH2:21][c:22]4[n:23][cH:24][n:25][c:26]([Cl:44])[cH:27]4)[cH:18][cH:19][c:20]23)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 949N,N-DimethylanilineHCID 6342AcetonitrileHCID 6380TetramethylammoniumHCID 24813Phosphorus oxychlorideHCID 178522149HCID 178522149, compound

Product 1

HCID 23652719HCID 23652719, compound

Sources & evidence

ORD record
ord-326c08aa8e3545fa9f5ed2d8c82cda5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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