Ammonium → Ethyl (5-(4-(((3-amino-2-methylphenyl)(2-fluorobenzyl)amino)methyl)phenoxy)-2-chlorophenoxy)acetate

HRID 99670Notes

Reaction equation

HRID 99670 reaction equation
[CH3:44][CH2:45][OH:46].[Cl-:42].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][c:12]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([c:24]3[c:25]([CH3:33])[c:26]([N+:30]([O-:31])=[O:32])[cH:27][cH:28][cH:29]3)[CH2:34][c:35]3[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]3)[cH:20][cH:21]2)[cH:13][cH:14]1.[Fe:48].[NH4+:43].[OH2:47]>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][c:12]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([c:24]3[c:25]([CH3:33])[c:26]([NH2:30])[cH:27][cH:28][cH:29]3)[CH2:34][c:35]3[c:36]([F:41])[cH:37][cH:38][cH:39][cH:40]3)[cH:20][cH:21]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 23925IronHCID 86586239Ethyl (2-chloro-5-(4-(((2-fluorobenzyl)(2-methyl-3-nitrophenyl)amino)methyl)phenoxy)phenoxy)acetate

Product 1

HCID 86586238Ethyl (5-(4-(((3-amino-2-methylphenyl)(2-fluorobenzyl)amino)methyl)phenoxy)-2-chlorophenoxy)acetate

Sources & evidence

ORD record
ord-c75998a8989141d9852f6093a90a404e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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