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Acetate → Phenylmethyl 2,3-dimethyl-1-piperazinecarboxylate

HRID 1116205
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HRID 1116205 반응식
[CH3:17][S:18](=[O:19])(=[O:20])[OH:21].[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][NH:6][CH:7]1[CH3:8].[CH3:23][C:24](=[O:25])[O-:26].[CH3:39][CH2:40][OH:41].[CH3:9][CH:10]1[CH:11]([CH3:12])[NH:13][CH2:14][CH2:15][NH:16]1.[Cl:27][C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[K+:22].[OH2:38]>>[CH3:1][CH:2]1[N:3]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:4][CH2:5][NH:6][CH:7]1[CH3:8]
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8

반응물 7

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 6395Methanesulfonic AcidHCID 10387Benzyl chloroformateHCID 5228142,3-Dimethylpiperazine2회

생성물 1

HCID 66936127Phenylmethyl 2,3-dimethyl-1-piperazinecarboxylate

출처 및 근거

ORD 기록
ord-b7c4e488d63845cf87b99cb24f56a883
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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