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Water → [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]carbamic acid tert-butyl ester

HRID 1212799
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HRID 1212799 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])[cH:13][n:14]1.[C:29](=[O:30])([O-:31])[O-:32].[CH2:21]([CH3:22])[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Cs+:33].[Cs+:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:26]2[CH2:25][CH2:24][N:23]([CH2:21][CH3:22])[CH2:28][CH2:27]2)[cH:13][n:14]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 791961-EthylpiperazineHCID 104967Cesium cation2회
HCID 86641141
(6-(Tert-butoxycarbonylamino)pyridin-3-yl)methyl methanesulfonate

생성물 1

HCID 66914627[5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8570f47e0ed64ec8a7dac11324b22fe8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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