Chloride → 4-(4-Chlorobenzoyl) 3,5-dichlorotoluene

HRID 2350652Notes

Reaction equation

HRID 2350652 reaction equation
[Al+3:56].[C:40]([Cl:41])(=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl-:53].[Cl-:54].[Cl-:55].[Cl:28][c:29]1[cH:30][c:31]([CH3:32])[cH:33][c:34]([Cl:35])[c:36]1[C:37]([OH:38])=[O:39].[Cl:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[NH2:1][c:2]1[n:3]([CH2:7][c:8]2[cH:9][c:10]([Cl:24])[c:11]([C:15]([c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)=[O:23])[c:12]([Cl:14])[cH:13]2)[n:4][n:5][c:6]1[C:25]([NH2:26])=[O:27].[S:49]([Cl:50])([Cl:51])=[O:52]>>[CH3:7][c:8]1[cH:9][c:10]([Cl:24])[c:11]([C:15]([c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)=[O:23])[c:12]([Cl:14])[cH:13]1

Participants

9

Reactant 8

HCID 312Chloride3×HCID 6228DimethylformamideHCID 7412Benzoyl chlorideHCID 7964ChlorobenzeneHCID 24386Thionyl ChlorideHCID 104727Aluminum CationHCID 108144CarboxyamidotriazoleHCID 136496822,6-Dichloro-4-methylbenzoic acid

Product 1

HCID 136496514-(4-Chlorobenzoyl) 3,5-dichlorotoluene

Sources & evidence

ORD record
ord-f65f1232f07a4a24b64fe560d075cf57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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