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Chloride → Ethyl 7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoate

HRID 102216
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HRID 102216 반응식
[C:19]([CH:20]([CH3:21])[CH3:22])(=[O:23])[O:24][CH2:25][CH3:26].[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[CH:53]([O:54][CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl-:61].[ClH:52].[I:27][CH2:28][CH2:29][CH2:30][CH2:31][CH:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[c:40]([O:50][CH3:51])[c:41]([CH3:49])[c:42]([CH3:48])[c:43]([O:46][CH3:47])[c:44]1[CH3:45].[Na+:60].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[C:19]([C:20]([CH3:21])([CH3:22])[CH2:28][CH2:29][CH2:30][CH2:31][CH:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[c:40]([O:50][CH3:51])[c:41]([CH3:49])[c:42]([CH3:48])[c:43]([O:46][CH3:47])[c:44]1[CH3:45])(=[O:23])[O:24][CH2:25][CH3:26]
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium IonHCID 7342Ethyl isobutyrateHCID 7912DiisopropylamineHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8058Hexane
HCID 19088084
1-Iodo-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentane
HCID 178418339Butyllithium

생성물 1

HCID 19088026Ethyl 7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoate

출처 및 근거

ORD 기록
ord-746f59c8b8ad41ea9e63d279d350dc38
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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