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Bicarbonate Ion → 15-Chloro-2-(1-ethoxyethoxy)3-(1-methylethyl)-6,10,14-trimethyl-3,5,9,13-pentadecatetraenenitrile

HRID 321490
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HRID 321490 반응식
[CH:25](=[CH2:26])[O:27][CH2:28][CH3:29].[Cl:1][CH2:2][C:3](=[CH:4][CH2:5][CH2:6][C:7](=[CH:8][CH2:9][CH2:10][C:11](=[CH:12][CH:13]=[C:14]([CH:15]([C:16]#[N:17])[OH:18])[CH:19]([CH3:20])[CH3:21])[CH3:22])[CH3:23])[CH3:24].[Cl:46][CH2:47][Cl:48].[Na+:41].[OH:42][C:43](=[O:44])[O-:45].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[Cl:1][CH2:2][C:3](=[CH:4][CH2:5][CH2:6][C:7](=[CH:8][CH2:9][CH2:10][C:11](=[CH:12][CH:13]=[C:14]([CH:15]([C:16]#[N:17])[O:18][CH:25]([CH3:26])[O:27][CH2:28][CH3:29])[CH:19]([CH3:20])[CH3:21])[CH3:22])[CH3:23])[CH3:24]
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 8023Ethyl vinyl etherHCID 5450637515-Chloro-2-hydroxy-3-(1-methylethyl)-6,10,14-trimethyl-3,5,9,13 pentadecatetraenenitrile

생성물 1

HCID 53737094
15-Chloro-2-(1-ethoxyethoxy)3-(1-methylethyl)-6,10,14-trimethyl-3,5,9,13-pentadecatetraenenitrile

출처 및 근거

ORD 기록
ord-7b89ad102eb24cc88c1ab7753fe3458f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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