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Ethanol → 9-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-5-phenyl-9H-xanthene-3-carboxylic acid diethylamide

HRID 1142316
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HRID 1142316 반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]2[c:18]([cH:19]1)[O:17][c:16]1[c:11]([cH:12][cH:13][cH:14][c:15]1[Br:20])[C:10]2=[C:21]1[CH2:22][CH:23]2[CH2:24][CH2:25][CH:26]([CH2:27]1)[NH:28]2)[CH2:29][CH3:30].[CH3:52][CH2:53][OH:54].[Cs+:44].[Cs+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH:31][B:32]([OH:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]2[c:18]([cH:19]1)[O:17][c:16]1[c:11]([cH:12][cH:13][cH:14][c:15]1-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[C:10]2=[C:21]1[CH2:22][CH:23]2[CH2:24][CH2:25][CH:26]([CH2:27]1)[NH:28]2)[CH2:29][CH3:30]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 702EthanolHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 104967Cesium cation2회HCID 469179409-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-5-bromo-9H-xanthene-3-carboxylic acid diethylamide

생성물 1

HCID 46917995
9-(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-5-phenyl-9H-xanthene-3-carboxylic acid diethylamide

출처 및 근거

ORD 기록
ord-a9bc9587b6f64339913d49bd2bea863d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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