Toluene → HCID 59655729, compound

HRID 138825Notes

Reaction equation

HRID 138825 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]3[c:11]([n:12][c:13]([CH3:17])[nH:14][c:15]3=[O:16])[c:18]2-[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:4][cH:5][cH:6][cH:7]1.[P:35]([Cl:36])([Cl:37])([Cl:38])=[O:39]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10]3[c:11]([n:12][c:13]([CH3:17])[n:14][c:15]3[Cl:37])[c:18]2-[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 135974539HCID 135974539, compound

Product 1

HCID 59655729HCID 59655729, compound

Sources & evidence

ORD record
ord-aa4d4f475ac04f8b9086696034dbb285
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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