Acetate → 4-(4-Chloro-3-ethoxycarbonyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 1565256

반응식

HRID 1565256 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[C:27](=[O:28])([O-:29])[O-:30].[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[CH2:14]([CH3:15])[O:16][C:17]([c:18]1[cH:19][c:20]([Br:25])[cH:21][cH:22][c:23]1[Cl:24])=[O:26].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cs+:31].[Cs+:32].[Pd+2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:20]2[cH:19][c:18]([C:17]([O:16][CH2:14][CH3:15])=[O:26])[c:23]([Cl:24])[cH:22][cH:21]2)[CH2:12][CH2:13]1

참가 물질

8

반응물 7

HCID 175Acetate2회HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143452tert-Butyl piperazine-1-carboxylateHCID 144749Ethyl 5-bromo-2-chlorobenzoate

생성물 1

HCID 536491704-(4-Chloro-3-ethoxycarbonyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-d54aa15110384a7ca7dbbe7ed0dcef31
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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