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Dichloromethane → 3-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-2-cyclohexylcarbamoyloxymethyl-phenyl}-propionic acid

HRID 677566
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HRID 677566 반응식
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([CH2:14][CH2:15][c:16]1[c:17]([CH2:41][O:42][C:43]([NH:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)=[O:51])[cH:18][c:19]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)=[O:40])[cH:31][cH:32]2)[cH:20][cH:21]1)=[O:52].[Cl:53][CH2:54][Cl:55].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[O:12]=[C:13]([CH2:14][CH2:15][c:16]1[c:17]([CH2:41][O:42][C:43]([NH:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)=[O:51])[cH:18][c:19]([O:22][CH2:23][CH2:24][CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)=[O:40])[cH:31][cH:32]2)[cH:20][cH:21]1)[OH:52]
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 589794473-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-2-cyclohexylcarbamoyloxymethyl-phenyl}-propionic acid tert-butyl ester

생성물 1

HCID 179844883-{4-[3-(4-Benzoyl-phenoxy)-propoxy]-2-cyclohexylcarbamoyloxymethyl-phenyl}-propionic acid

출처 및 근거

ORD 기록
ord-90800923fd584904a38c25f7b7264de5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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