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Chloride → tert-Butyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-2-carboxylate

HRID 111146
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HRID 111146 반응식
[C:43](=[O:44])([O-:45])[OH:46].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[c:15]1[n:16]([CH2:24][CH:25]([CH2:26][O:27][c:28]2[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33]2)[OH:42])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1.[CH3:1][C:2]([O:3][C:4](=[O:5])[CH3:6])=[O:7].[CH3:50][S:51]([CH3:52])=[O:53].[Cl-:48].[Na+:47].[Na+:49]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[c:15]1[n:16]([CH2:24][C:25]([CH2:26][O:27][c:28]2[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:32][cH:33]2)=[O:42])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1
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반응물 6

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 7918Acetic AnhydrideHCID 11627108tert-Butyl-1-[2-hydroxy-3-(4-octylphenoxy)propyl]indole-2-carboxylate

생성물 1

HCID 11670138
tert-Butyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-2-carboxylate

출처 및 근거

ORD 기록
ord-28e49d16c1924fee8e6937d931c1d2a0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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