Toluene → HCID 21083723, compound

HRID 178559Notes

Reaction equation

HRID 178559 reaction equation
[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[OH:17])[cH:6][cH:7]1.[P:34]([Cl:35])([Cl:36])([Cl:37])=[O:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[Cl:36])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 178516366HCID 178516366, compound

Product 1

HCID 21083723HCID 21083723, compound

Sources & evidence

ORD record
ord-4285bf94286e42728f9af268bf9d26bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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