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Pyridine → 5-Chloro-2-(2,4-dichlorophenoxy)phenyl 2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl glutarate

HRID 1153197
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인쇄 미리보기

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HRID 1153197 반응식
[C:7]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13])(=[O:14])[O:15][CH:16]([CH2:17][O:18][C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])=[O:35])[CH2:36][O:37][C:38]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])=[O:54].[CH2:76]1[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[OH:59][c:60]1[cH:61][c:62]([Cl:63])[cH:64][cH:65][c:66]1[O:67][c:68]1[cH:69][cH:70][c:71]([Cl:72])[cH:73][c:74]1[Cl:75].[S:55]([Cl:56])([Cl:57])=[O:58].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[C:7]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[O:13][c:60]1[cH:61][c:62]([Cl:63])[cH:64][cH:65][c:66]1[O:67][c:68]1[cH:69][cH:70][c:71]([Cl:72])[cH:73][c:74]1[Cl:75])(=[O:14])[O:15][CH:16]([CH2:17][O:18][C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])=[O:35])[CH2:36][O:37][C:38]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])=[O:54]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 1049PyridineHCID 5564TriclosanHCID 8078CyclohexaneHCID 24386Thionyl ChlorideHCID 233229032-Hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl hydrogen glutarate

생성물 1

HCID 544220565-Chloro-2-(2,4-dichlorophenoxy)phenyl 2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl glutarate

출처 및 근거

ORD 기록
ord-64db317bec354865b98f04e751ef6533
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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