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Potassium Cation → {1-[4-(8-ethynyl-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

HRID 97802
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반응식

HRID 97802 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[o:20][c:21]4[c:22]([C:29]#[C:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:23][cH:24][cH:25][c:26]4[c:27]3=[O:28])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:41].[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][OH:49].[Cl:50][CH2:51][Cl:52].[K+:46].[K+:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[o:20][c:21]4[c:22]([C:29]#[CH:30])[cH:23][cH:24][cH:25][c:26]4[c:27]3=[O:28])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:41]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 813Potassium Cation2회HCID 887MethanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 67067912(1-[4-(4-oxo-2-phenyl-8-trimethylsilanylethynyl-4H-chromen-3-yl)-phenyl]-cyclobutyl)-carbamic acid tert-butyl ester

생성물 1

HCID 86671055
{1-[4-(8-ethynyl-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6639c4600b6941bf8e5788f845aa6eeb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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