Water → 5-Chloro-2-(2,4-dichlorophenoxy)phenyl 2-octanoyloxy-1-(octanoyloxymethyl)ethyl glutarate

HRID 2161344

Reaction equation

HRID 2161344 reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])(=[O:9])[O:10][CH2:11][CH:12]([CH2:13][O:14][C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23])[OH:24].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:31][C:32](=[O:33])[CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][c:40]1[c:41]([O:47][c:48]2[c:49]([Cl:55])[cH:50][c:51]([Cl:54])[cH:52][cH:53]2)[cH:42][cH:43][c:44]([Cl:46])[cH:45]1.[OH2:60].[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])(=[O:9])[O:10][CH2:11][CH:12]([CH2:13][O:14][C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23])[O:24][C:32](=[O:33])[CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][c:40]1[c:41]([O:47][c:48]2[c:49]([Cl:55])[cH:50][c:51]([Cl:54])[cH:52][cH:53]2)[cH:42][cH:43][c:44]([Cl:46])[cH:45]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6212ChloroformHCID 1509111,3-Dioctanoyl glycerolHCID 536851365-Chloro-2-(2,4-dichlorophenoxy)phenyl 4-chloroformylbutyrate

Product 1

HCID 233228885-Chloro-2-(2,4-dichlorophenoxy)phenyl 2-octanoyloxy-1-(octanoyloxymethyl)ethyl glutarate

Sources & evidence

ORD record
ord-a0f5ff5782c04b799891bf9d852df6b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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