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Acetonitrile → 4-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester

HRID 312970
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반응식

HRID 312970 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH3:14])([c:15]2[s:16][cH:17][c:18]([CH2:20][O:21][S:22]([CH3:23])(=[O:24])=[O:25])[n:19]2)[CH2:12][CH2:13]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]1.[CH3:43][C:44]#[N:45].[Cs+:41].[Cs+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH3:14])([c:15]2[s:16][cH:17][c:18]([CH2:20][O:21][c:33]3[cH:32][cH:31][c:30]([S:27]([CH3:26])(=[O:28])=[O:29])[cH:35][cH:34]3)[n:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 1233504-(Methylsulfonyl)phenolHCID 579868554-(4-Methanesulfonyloxymethyl-thiazol-2-yl)-4-methyl-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 25026305
4-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-f5645c16852f4f7d82d626b8ef96a1c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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