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Pyridine → 5-Chloro-2-(2,4-dichlorophenoxy)phenyl 4-[2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethoxycarbonyl]-3,3-dimethylbutyrate

HRID 144985
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HRID 144985 반응식
[CH2:74]([Cl:75])[Cl:76].[Cl:1][C:2](=[O:3])[CH2:4][C:5]([CH2:6][C:7](=[O:8])[O:9][CH:10]([CH2:11][O:12][C:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[O:29])[CH2:30][O:31][C:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:48])([CH3:49])[CH3:50].[OH:51][c:52]1[cH:53][c:54]([Cl:55])[cH:56][cH:57][c:58]1[O:59][c:60]1[cH:61][cH:62][c:63]([Cl:64])[cH:65][c:66]1[Cl:67].[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[C:2](=[O:3])([CH2:4][C:5]([CH2:6][C:7](=[O:8])[O:9][CH:10]([CH2:11][O:12][C:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[O:29])[CH2:30][O:31][C:32]([CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:48])([CH3:49])[CH3:50])[O:51][c:52]1[cH:53][c:54]([Cl:55])[cH:56][cH:57][c:58]1[O:59][c:60]1[cH:61][cH:62][c:63]([Cl:64])[cH:65][c:66]1[Cl:67]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 5564TriclosanHCID 6344DichloromethaneHCID 233229012-Hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl 4-chloroformyl-3,3-dimethylbutyrate

생성물 1

HCID 233229005-Chloro-2-(2,4-dichlorophenoxy)phenyl 4-[2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethoxycarbonyl]-3,3-dimethylbutyrate

출처 및 근거

ORD 기록
ord-0184cc28a3424c9581308d5d79d7675c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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