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Ethanol → 4'-(1-Methyl-heptyloxy)-4-biphenylcarboxylic acid

HRID 2342235
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HRID 2342235 반응식
[CH2:1]([O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]([OH:12])[cH:13][cH:14]2)[cH:15][cH:16]1)=[O:17])[CH3:18].[CH2:40]([CH3:41])[O:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][c:48](-[c:51]2[cH:52][cH:53][c:54]([O:57][CH:58]([CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64])[CH3:65])[cH:55][cH:56]2)[cH:49][cH:50]1.[CH3:21][CH:22]([O:23][S:24]([c:25]1[c:26]([CH3:27])[cH:28][cH:29][cH:30][cH:31]1)(=[O:32])=[O:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:68][CH2:69][OH:70].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[K+:20].[Na+:67].[OH-:19].[OH-:66].[OH2:71]>>[O:42]=[C:43]([OH:44])[c:45]1[cH:46][cH:47][c:48](-[c:51]2[cH:52][cH:53][c:54]([O:57][CH:58]([CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64])[CH3:65])[cH:55][cH:56]2)[cH:49][cH:50]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 702EthanolHCID 813Potassium CationHCID 923Sodium IonHCID 961Hydroxide2회HCID 962WaterHCID 1140TolueneHCID 4049156Ethyl 4'-hydroxy-4-biphenylcarboxylate
HCID 13643648
4'-(1-Methyl-heptyloxy)-4-biphenylcarboxylic acid ethyl ester
HCID 19990276Toluenesulfonic acid 1-methyl-heptyl ester

생성물 1

HCID 136436504'-(1-Methyl-heptyloxy)-4-biphenylcarboxylic acid

출처 및 근거

ORD 기록
ord-078d84bf60f74c9db4a9a00b0e77b99c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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