Methyl 4-bromobenzoate → Methyl 4-(4-(((2,4-difluorobenzyl)(2-methyl-3-nitrophenyl)amino)methyl)phenoxy)benzoate

HRID 170735Notes

Reaction equation

HRID 170735 reaction equation
[CH3:29][O:30][C:31]([c:32]1[cH:33][cH:34][c:35]([Br:38])[cH:36][cH:37]1)=[O:39].[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1>>[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][c:35]3[cH:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:39])[cH:37][cH:36]3)[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1

Participants

3

Reactant 2

HCID 12081Methyl 4-bromobenzoateHCID 18512160N-(2,4-difluorobenzyl)-N-(4-hydroxybenzyl)-2-methyl-3-nitroaniline

Product 1

HCID 18511913Methyl 4-(4-(((2,4-difluorobenzyl)(2-methyl-3-nitrophenyl)amino)methyl)phenoxy)benzoate

Sources & evidence

ORD record
ord-0fe4225f6d304326b7ac671bf90d7cbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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