Benzene → HCID 178479883, compound

HRID 320805Notes

Reaction equation

HRID 320805 reaction equation
[Al+3:51].[Cl-:50].[Cl-:52].[Cl-:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]4[c:8]([cH:9][c:10]([O:17][CH3:18])[cH:11][c:12]4[n:13]([CH3:16])[c:14]2[cH:15]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[n:25]3.[Cl:26][c:27]1[cH:28][cH:29][c:30]2[c:31]3[n:32][c:33]4[c:34]([cH:35][cH:36][cH:37][cH:38]4)[c:39]4[cH:40][c:41]([O:42][CH3:43])[cH:44][c:45]([nH:46][c:47]2[cH:48]1)[c:49]34.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]4[c:8]([cH:9][c:10]([OH:17])[cH:11][c:12]4[n:13]([CH3:16])[c:14]2[cH:15]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[n:25]3

Participants

6

Reactant 5

HCID 241BenzeneHCID 312Chloride3×HCID 104727Aluminum CationHCID 11110795HCID 11110795, compoundHCID 21936572HCID 21936572, compound

Product 1

HCID 178479883HCID 178479883, compound

Sources & evidence

ORD record
ord-1075e7e83fb042e283f524a359fa871d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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