Benzene → {4-Chloro-2-[alpha-(1-imidazolyl)-benzyl]-phenyl}-(2,4-dichlorobenzyl)-ether

HRID 179602Notes

Reaction equation

HRID 179602 reaction equation
[BH4-:17].[CH3:56][OH:57].[CH3:58][CH2:59][OH:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7]([C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[O:16])[cH:8]1.[Cl:24][c:25]1[cH:26][c:27]([CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]2[cH:40][n:41][cH:42][cH:43]2)[c:28]([OH:31])[cH:29][cH:30]1.[Cl:46][c:47]1[c:48]([CH2:49][Cl:50])[cH:51][cH:52][c:53]([Cl:55])[cH:54]1.[H-:44].[Na+:18].[Na+:45].[OH2:66].[cH:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[nH:19]1[cH:20][cH:21][n:22][cH:23]1>>[Cl:24][c:25]1[cH:26][c:27]([CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]2[cH:40][n:41][cH:42][cH:43]2)[c:28]([O:31][CH2:49][c:48]2[c:47]([Cl:46])[cH:54][c:53]([Cl:55])[cH:52][cH:51]2)[cH:29][cH:30]1

Participants

13

Reactant 12

HCID 241BenzeneHCID 702EthanolHCID 795ImidazoleHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 6799Chlorohydroxy benzophenoneHCID 72122,4-Dichlorobenzyl chlorideHCID 28123BorohydrideHCID 166653HydrideHCID 125771204-Chloro-2-[(1H-imidazol-1-yl)(phenyl)methyl]phenol

Product 1

HCID 21481666{4-Chloro-2-[alpha-(1-imidazolyl)-benzyl]-phenyl}-(2,4-dichlorobenzyl)-ether

Sources & evidence

ORD record
ord-aa79c018af074c6b98f20b9b86b84629
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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