1,2-Dichloroethane → 5-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-isophthalic acid dimethyl ester

HRID 687482

Reaction equation

HRID 687482 reaction equation
[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[OH:19])[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:61]([Cl:62])[CH2:63][Cl:64].[CH3:22][O:23][C:24]([c:25]1[cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][c:33]([NH2:35])[cH:34]1)=[O:36].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[NH:35][c:33]4[cH:32][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:26][c:25]([C:24]([O:23][CH3:22])=[O:36])[cH:34]4)[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 66831Dimethyl 5-aminoisophthalateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 625381PMID26882240-Compound-8

Product 1

HCID 248110005-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-isophthalic acid dimethyl ester

Sources & evidence

ORD record
ord-42ebcf2031de469b9356f9e27551a3db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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