Benzene → HCID 178479874, compound

HRID 315217Notes

Reaction equation

HRID 315217 reaction equation
[Al+3:51].[Cl-:50].[Cl-:52].[Cl-:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[n:8][c:9]1[c:10]3[c:11]2[cH:12][c:13]([O:24][CH3:25])[cH:14][c:15]3[n:16]([CH3:23])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12.[Cl:26][c:27]1[cH:28][cH:29][c:30]2[n:31][c:32]3[c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]4[nH:39][c:40]4[c:41]3[c:42]([cH:43][c:44]([O:45][CH3:46])[cH:47]4)[c:48]2[cH:49]1.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[n:8][c:9]1[c:10]3[c:11]2[cH:12][c:13]([OH:24])[cH:14][c:15]3[n:16]([CH3:23])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12

Participants

6

Reactant 5

HCID 241BenzeneHCID 312Chloride3×HCID 104727Aluminum CationHCID 11035407HCID 11035407, compoundHCID 21936568HCID 21936568, compound

Product 1

HCID 178479874HCID 178479874, compound

Sources & evidence

ORD record
ord-ba50a1f2be48430c999621c068110e14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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