3,4-Dichlorobenzaldehyde → [4-(2-Chloro-4-formyl-phenylsulfanyl)-2,5-dimethyl-phenoxy]-acetic acid ethyl ester

HRID 696476Notes

Reaction equation

HRID 696476 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:23])[cH:9][c:10]([S:13][c:14]2[c:15]([Cl:22])[cH:16][c:17]([CH:20]=[O:21])[cH:18][cH:19]2)[cH:11][cH:12]1)=[O:24].[CH2:25]([O:26][C:27](=[O:28])[CH2:29][O:30][c:31]1[c:32]2[c:37]([c:38]([SH:39])[cH:40][cH:41]1)[CH2:36][CH2:35][CH2:34][CH2:33]2)[CH3:42].[Cl:43][c:44]1[cH:45][c:46]([CH:51]=[O:52])[cH:47][cH:48][c:49]1[Cl:50]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:23])[cH:9][c:10]([S:13][c:14]2[c:15]([Cl:22])[cH:16][c:17]([CH:20]=[O:21])[cH:18][cH:19]2)[c:11]([CH3:25])[cH:12]1)=[O:24]

Participants

4

Reactant 3

HCID 227103,4-DichlorobenzaldehydeHCID 207681164-[(2-Chloro-4-formylphenyl)sulfanyl]-2-methylphenoxy-acetic acid ethyl esterHCID 20768130(4-Mercapto-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid ethyl ester

Product 1

HCID 20768115[4-(2-Chloro-4-formyl-phenylsulfanyl)-2,5-dimethyl-phenoxy]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-922dac9cee7a437db6a6211fe321a32f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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